Geometry & MOs

Info

ID:	16599
PubChem CID:	473584
Reduced:	O2N3C17H27 (2)
Stoich.:	A2B3C17D27 (2)
Weight, g/mol:	610.420654
ΔH_f, kcal/mol:	-200.72
Dipole, Da:	6.87
IP(EA), eV:	-9.01(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-amino-N-(2-cyclohexylethyl)-2-[[(2S)-3-hydroxy-2-[2-[4-[4-(2-methylimidazol-1-yl)butyl]phenyl]propanoylamino]propanoyl]amino]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

CC1=NC=CN1CCCCC2=CC=C(C=C2)C(C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC3CCCCC3

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

CC1=NC=CN1CCCCC2=CC=C(C=C2)C(C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC3CCCCC3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):