Geometry & MOs

Info

ID:	36292
PubChem CID:	8001120
Reduced:	SN2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	398.195405
ΔH_f, kcal/mol:	78.23
Dipole, Da:	7.99
IP(EA), eV:	-8.48(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyloxolane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=S)NNC(=S)NC2=CC=CC=C2C

DOS

IR

Vibrations