Geometry & MOs

Info

ID:	222736
PubChem CID:	85332204
Reduced:	FSO4N5C24H36 (1)
Stoich.:	ABC4D5E24F36 (1)
Weight, g/mol:	498.202041
ΔH_f, kcal/mol:	-172.06
Dipole, Da:	5.95
IP(EA), eV:	-8.8(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1H-indole-2-carboxamide;chloride

Drug info:

PubChemData

Smile

CCN1C2C(CC(CN2)CCOC3=C4CNS(=O)(=O)C4=CC=C3)C(=O)N(C5C1NC(CC5C)F)C

DOS

IR

Vibrations