Geometry & MOs

Info

ID:	37772
PubChem CID:	8024228
Reduced:	N3O4C23H25 (1)
Stoich.:	A3B4C23D25 (1)
Weight, g/mol:	226.052447
ΔH_f, kcal/mol:	-103.02
Dipole, Da:	4.18
IP(EA), eV:	-8.17(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-carbamoyl-2-pyrimidin-2-ylsulfanylpropanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)C

DOS

IR

Vibrations