Geometry & MOs

Info

ID:	144155
PubChem CID:	53323472
Reduced:	ClO4N8C37H53 (1)
Stoich.:	AB4C8D37E53 (1)
Weight, g/mol:	672.411152
ΔH_f, kcal/mol:	-165.74
Dipole, Da:	4.72
IP(EA), eV:	-7.95(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-amino-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-[4-[(6-methoxyquinolin-8-yl)amino]pentylcarbamoylamino]hexanamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(CCCNC(=O)[C@H](CCCCN)NC(=O)NCCCC(C)NC1=C2C(=CC(=C1)OC)C=CC=N2)NC3=C4C(=CC(=C3)OC)C=CC=N4.Cl

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(CCCNC(=O)[C@H](CCCCN)NC(=O)NCCCC(C)NC1=C2C(=CC(=C1)OC)C=CC=N2)NC3=C4C(=CC(=C3)OC)C=CC=N4.Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):