Geometry & MOs

Info

ID:	38820
PubChem CID:	8137981
Reduced:	ClNO4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	412.060818
ΔH_f, kcal/mol:	-169.14
Dipole, Da:	3.58
IP(EA), eV:	-9.15(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-chloro-3-morpholin-4-ylsulfonylbenzoyl)-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H](C)OC(=O)[C@@H](C)OC1=CC=C(C=C1)Cl

DOS

IR

Vibrations