Geometry & MOs

Info

ID:	44357
PubChem CID:	10503079
Reduced:	O3H28C30 (1)
Stoich.:	A3B28C30 (1)
Weight, g/mol:	436.092474
ΔH_f, kcal/mol:	-46.76
Dipole, Da:	3.48
IP(EA), eV:	-8.53(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(benzotriazol-1-yl)-5-(2-chlorophenyl)-N-(3-fluorophenyl)pent-3-enethioamide

Drug info:

PubChemData

Smile

CC(C)C(=O)C1=C2CCC3=C2C(=C(C=C3)C4=CC=C(C=C4)OC)C(=C1)C5=CC=C(C=C5)OC

DOS

IR

Vibrations