Geometry & MOs

Info

ID:	37878
PubChem CID:	8025288
Reduced:	N2O2C21H30 (1)
Stoich.:	A2B2C21D30 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-72.23
Dipole, Da:	3.68
IP(EA), eV:	-8.55(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenylbutanamide

Drug info:

PubChemData

Smile

CC1(CC(=NC[C@@H](C2=CC=C(C=C2)OC)N3CCCC3)CC(=O)C1)C

DOS

IR

Vibrations