Geometry & MOs

Info

ID:	125513
PubChem CID:	50927468
Reduced:	ClSO2N4C21H25 (1)
Stoich.:	ABC2D4E21F25 (1)
Weight, g/mol:	364.193297
ΔH_f, kcal/mol:	-66.45
Dipole, Da:	2.67
IP(EA), eV:	-8.82(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations