Geometry & MOs

Info

ID:	137680
PubChem CID:	52243905
Reduced:	N3O3C29H33 (1)
Stoich.:	A3B3C29D33 (1)
Weight, g/mol:	471.252192
ΔH_f, kcal/mol:	-91.08
Dipole, Da:	4.79
IP(EA), eV:	-8.88(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[(1R)-1-(3-benzamidophenyl)ethyl]amino]-3-oxopropyl]-4-tert-butylbenzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2)NC(=O)CCNC(=O)C3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations