Geometry & MOs

Info

ID:	314024
PubChem CID:	126619700
Reduced:	INO2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	805.596887
ΔH_f, kcal/mol:	-10.34
Dipole, Da:	3.04
IP(EA), eV:	-8.62(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-amino-3-[2-[3-[(2R)-3-amino-2-hydroxypropyl]-4-[3-[(2R)-3-amino-2-hydroxypropyl]-5-(2-ethylbutoxy)phenyl]-5-(2-propylpentoxy)phenyl]-3-(2-propylpentoxy)phenyl]propan-2-ol

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

C1=CC(=CC(=C1)OC2=CC=C(C=C2)COCI)N

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

C1=CC(=CC(=C1)OC2=CC=C(C=C2)COCI)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):