Geometry & MOs

Info

ID:	125511
PubChem CID:	50927466
Reduced:	ClSO2N4C21H25 (1)
Stoich.:	ABC2D4E21F25 (1)
Weight, g/mol:	412.193297
ΔH_f, kcal/mol:	-65.87
Dipole, Da:	6.86
IP(EA), eV:	-8.71(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations