Geometry & MOs

Info

ID:	46673
PubChem CID:	10526149
Reduced:	NSeO2C22H31 (1)
Stoich.:	ABC2D22E31 (1)
Weight, g/mol:	420.114378
ΔH_f, kcal/mol:	-78.68
Dipole, Da:	3.29
IP(EA), eV:	-8.5(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(benzenesulfonyl)-N,N'-diphenylpent-2-enediamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H](N(C2(C)C)C(=O)C=C)[C@@H](C)[Se]C3=CC=CC=C3

DOS

IR

Vibrations