Geometry & MOs

Info

ID:	125510
PubChem CID:	50927465
Reduced:	SN4O4C23H28 (1)
Stoich.:	AB4C4D23E28 (1)
Weight, g/mol:	432.138675
ΔH_f, kcal/mol:	-143.65
Dipole, Da:	1.24
IP(EA), eV:	-8.68(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=C(C(=O)N2CCC(C)C)NC(=C3)C

DOS

IR

Vibrations