Geometry & MOs

Info

ID:	80519
PubChem CID:	49834904
Reduced:	SN3O5C22H27 (1)
Stoich.:	AB3C5D22E27 (1)
Weight, g/mol:	392.134777
ΔH_f, kcal/mol:	-152.21
Dipole, Da:	4.78
IP(EA), eV:	-9.79(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-phenyl-3-(trifluoromethyl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1O)C(=O)[C@@H]2C[C@@H](C[C@H]2C(=O)NC3(CC3)C#N)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations