Geometry & MOs

Info

ID:	329490
PubChem CID:	126737497
Reduced:	N4O5C22H32 (1)
Stoich.:	A4B5C22D32 (1)
Weight, g/mol:	513.237604
ΔH_f, kcal/mol:	-162.85
Dipole, Da:	11.15
IP(EA), eV:	-8.46(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-[2-amino-5-(phenylmethoxycarbonylaminomethyl)benzimidazol-1-yl]-2,3-dihydroindole-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CC(C1)NC2=C(C=C(C=C2)NC(=O)C3CCCCC3)[N+](=O)[O-]

DOS

IR

Vibrations