Geometry & MOs

Info

ID:	135199
PubChem CID:	51833497
Reduced:	N3O5C27H37 (1)
Stoich.:	A3B5C27D37 (1)
Weight, g/mol:	511.268236
ΔH_f, kcal/mol:	-141.68
Dipole, Da:	3.29
IP(EA), eV:	-9.19(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(1,3-benzodioxol-5-yl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-N-tert-butyl-4-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC(=O)[C@H](C1=CC(=CC=C1)O)N(C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(C)(C)C

DOS

IR

Vibrations