Geometry & MOs

Info

ID:	125503
PubChem CID:	50927328
Reduced:	SO2N4C25H26 (1)
Stoich.:	AB2C4D25E26 (1)
Weight, g/mol:	468.126755
ΔH_f, kcal/mol:	-22.87
Dipole, Da:	4.22
IP(EA), eV:	-8.82(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C3=C(C=C(N3)C)N=C2SCC(=O)NC4=CC=CC(=C4)C(C)C

DOS

IR

Vibrations