Geometry & MOs

Info

ID:	75663
PubChem CID:	48423815
Reduced:	N3O4C20H23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	411.215806
ΔH_f, kcal/mol:	-146.51
Dipole, Da:	4.42
IP(EA), eV:	-8.6(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[[4-(butan-2-ylcarbamoyl)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)OC)NC(=O)C

DOS

IR

Vibrations