Geometry & MOs

Info

ID:	125506
PubChem CID:	50927461
Reduced:	SO2N4C19H30 (1)
Stoich.:	AB2C4D19E30 (1)
Weight, g/mol:	412.193297
ΔH_f, kcal/mol:	-92.13
Dipole, Da:	5.08
IP(EA), eV:	-8.48(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN(C)C(=O)CSC1=NC2=C(C(=O)N1CCC(C)C)NC(=C2)C

DOS

IR

Vibrations