Geometry & MOs

Info

ID:	76022
PubChem CID:	48424311
Reduced:	N2O3C20H30 (1)
Stoich.:	A2B3C20D30 (1)
Weight, g/mol:	417.145534
ΔH_f, kcal/mol:	-104.63
Dipole, Da:	4.09
IP(EA), eV:	-8.78(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[[4-(4-chloroanilino)-4-oxobutyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCN(CC1)CC2=CC(=CC=C2)OC)OCC3CC3

DOS

IR

Vibrations