Geometry & MOs

Info

ID:	34990
PubChem CID:	7979171
Reduced:	NSO4C24H25 (1)
Stoich.:	ABC4D24E25 (1)
Weight, g/mol:	358.03169
ΔH_f, kcal/mol:	-125.26
Dipole, Da:	2.6
IP(EA), eV:	-9.2(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-3-(3-bromophenyl)prop-2-enoyl]-4-methylbenzohydrazide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)[C@H]2CS[C@@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations