Geometry & MOs

Info

ID:	169873
PubChem CID:	75159927
Reduced:	SN2O2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	538.258006
ΔH_f, kcal/mol:	-15.09
Dipole, Da:	0.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.058035
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylcarbamoyl]phenyl]-N-(2-phenylpropyl)pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C[N+]1=C2C=CC=CC2SC(=CC(=O)NC3CC3)C1=O

DOS

IR

Vibrations