Geometry & MOs

Info

ID:	38918
PubChem CID:	8138157
Reduced:	NO4C23H27 (1)
Stoich.:	AB4C23D27 (1)
Weight, g/mol:	416.151826
ΔH_f, kcal/mol:	-119.85
Dipole, Da:	3.08
IP(EA), eV:	-8.9(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)OCC(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3CC3

DOS

IR

Vibrations