Geometry & MOs

Info

ID:	314716
PubChem CID:	126622811
Reduced:	NOC16H17 (1)
Stoich.:	ABC16D17 (1)
Weight, g/mol:	613.114933
ΔH_f, kcal/mol:	0.66
Dipole, Da:	2.94
IP(EA), eV:	-8.48(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-acetyl-5-[[6-(2-methoxyethoxy)pyridin-3-yl]-(2,2,2-trichloroethoxycarbonyl)amino]indol-1-yl]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2CNCCC2=C1)C3=CC=CC=C3

DOS

IR

Vibrations