Geometry & MOs

Info

ID:	60822
PubChem CID:	26702490
Reduced:	SO2N6H18C20 (1)
Stoich.:	AB2C6D18E20 (1)
Weight, g/mol:	360.195011
ΔH_f, kcal/mol:	69.26
Dipole, Da:	6.41
IP(EA), eV:	-8.67(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-benzyltriazol-4-yl)-N-[(2S)-2-phenylbutyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)NC(=O)/C=C/C3=CN(N=N3)CC4=CC=CC=C4)C

DOS

IR

Vibrations