Geometry & MOs

Info

ID:	144038
PubChem CID:	53303914
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	513.211115
ΔH_f, kcal/mol:	-80.82
Dipole, Da:	7.59
IP(EA), eV:	-8.97(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R)-3-[(1S)-1-acetamido-2-nitroethyl]-3-[(3,4-dimethoxyphenyl)methyl]-2-oxoindole-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C(CC2CCNCC2)C3=CC4=CC(=CN=C4N3)C(=O)O

DOS

IR

Vibrations