Geometry & MOs

Info

ID:	307806
PubChem CID:	125309442
Reduced:	O2S3N6C10H14 (1)
Stoich.:	A2B3C6D10E14 (1)
Weight, g/mol:	333.114713
ΔH_f, kcal/mol:	21.81
Dipole, Da:	4.23
IP(EA), eV:	-8.25(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-methoxyphenyl)-2-[(4-methyl-6-oxo-5H-pyrimidin-2-yl)sulfanyl]butanamide

Drug info:

PubChemData

Smile

CCS[C@H]1NN=C(S1)NC(=O)CSC2=NC(=O)[C@H](N=N2)C

DOS

IR

Vibrations