Geometry & MOs

Info

ID:	219244
PubChem CID:	85096689
Reduced:	ClBr2O4H9C17 (1)
Stoich.:	AB2C4D9E17 (1)
Weight, g/mol:	472.291037
ΔH_f, kcal/mol:	-79.5
Dipole, Da:	6.59
IP(EA), eV:	-9.01(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(C(=O)OC2=CC3=CC(=C(C(=C3)Br)O)Br)Cl)O

DOS

IR

Vibrations