Geometry & MOs

Info

ID:	140494
PubChem CID:	52709917
Reduced:	N2O3C23H31 (1)
Stoich.:	A2B3C23D31 (1)
Weight, g/mol:	435.161663
ΔH_f, kcal/mol:	-75.5
Dipole, Da:	8.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.934527
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-(4-methoxyphenyl)-5-oxopentanamide

Drug info:

PubChemData

Smile

CC[NH+](C1=CC=C(C=C1)NC(=O)CCCC(=O)C2=CC=C(C=C2)OC)C(C)C

DOS

IR

Vibrations