Geometry & MOs

Info

ID:	125512
PubChem CID:	50927467
Reduced:	SO2N4C22H28 (1)
Stoich.:	AB2C4D22E28 (1)
Weight, g/mol:	432.138675
ΔH_f, kcal/mol:	-66.06
Dipole, Da:	4.91
IP(EA), eV:	-8.58(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-methylphenyl)-2-[[6-methyl-3-(3-methylbutyl)-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CCC(C)C)NC(=C3)C)C

DOS

IR

Vibrations