Geometry & MOs

Info

ID:	138888
PubChem CID:	52440550
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	356.01604
ΔH_f, kcal/mol:	-67.71
Dipole, Da:	4.91
IP(EA), eV:	-8.43(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(3-bromo-4-hydroxyphenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)C(=O)NNC(=O)C2=CC=CS2)C(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations