Geometry & MOs

Info

ID:

163956

PubChem CID:

74381062

Reduced:

FSO2N5C24H26 (1)

Stoich.:

ABC2D5E24F26 (1)

Weight, g/mol:

869.422445

ΔHf, kcal/mol:

-31.45

Dipole, Da:

5.4

IP(EA), eV:

 -9.32(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-acetamido-6-amino-N-[1-[[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hexanamide

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C)C(=O)NCC2CC3CC3N2C(=O)C4=C(SC(=N4)C)C5=CC(=CC=C5)F

DOS

IR

Vibrations