Geometry & MOs

Info

ID:	306977
PubChem CID:	125264530
Reduced:	O3N4C25H38 (1)
Stoich.:	A3B4C25D38 (1)
Weight, g/mol:	457.112999
ΔH_f, kcal/mol:	-52.98
Dipole, Da:	4.63
IP(EA), eV:	-8.74(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethylphenyl)-2-[[(5S)-5-(3,4-dimethylphenyl)sulfonyl-4-oxo-5H-pyrimidin-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CNCCN(C)CC1=C(N=NC1)C2=CC=C(C=C2)OC3CC(C3)OCCC4CCOCC4

DOS

IR

Vibrations