Geometry & MOs

Info

ID:	60972
PubChem CID:	26703789
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	465.183461
ΔH_f, kcal/mol:	-101.71
Dipole, Da:	6.25
IP(EA), eV:	-9.07(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-benzyltriazol-4-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC[C@H](CNC(=O)CN1C(=O)[C@@H](N(C1=O)C2=CC=C(C=C2)C)C)C3=CC=CC=C3

DOS

IR

Vibrations