Geometry & MOs

Info

ID:	157969
PubChem CID:	56459358
Reduced:	O2S2N5C19H25 (1)
Stoich.:	A2B2C5D19E25 (1)
Weight, g/mol:	359.149699
ΔH_f, kcal/mol:	-26.91
Dipole, Da:	5.1
IP(EA), eV:	-8.89(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-cyclopropyl-4,4,4-trifluoro-N-[(4-methylphenyl)methyl]-3-phenylbut-2-enamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=NC=CS4

DOS

IR

Vibrations