Geometry & MOs

Info

ID:	61942
PubChem CID:	26716004
Reduced:	ClN2O5C23H27 (1)
Stoich.:	AB2C5D23E27 (1)
Weight, g/mol:	471.182792
ΔH_f, kcal/mol:	-146.61
Dipole, Da:	1.51
IP(EA), eV:	-8.6(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N'-[2-(4-methoxyphenyl)acetyl]prop-2-enehydrazide

Drug info:

PubChemData

Smile

CC(C)COC1=C(C=C(C=C1Cl)/C=C/C(=O)NNC(=O)CC2=CC=C(C=C2)OC)OC

DOS

IR

Vibrations