Geometry & MOs

Info

ID:	170840
PubChem CID:	75285452
Reduced:	SN3O3C20H24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	451.156577
ΔH_f, kcal/mol:	-102.51
Dipole, Da:	5.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.922064
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3,5-dimethylphenyl)-2,4-dioxo-4a,7a-dihydrothieno[3,2-d]pyrimidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C(=O)C3C(=[N+](C2=O)CC(=O)NC(C)(C)C)C=CS3)C

DOS

IR

Vibrations