Geometry & MOs

Info

ID:	448706
PubChem CID:	135292910
Reduced:	NO2C60H123 (1)
Stoich.:	AB2C60D123 (1)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	-358.0
Dipole, Da:	0.85
IP(EA), eV:	-8.35(2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-phenylacetyl]-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCCC)N(C)CC(C)(C)CC(C)(C)CC(C)(C)OCCC(C)(C)OC

DOS

IR

Vibrations