Geometry & MOs

Info

ID:	38989
PubChem CID:	8138300
Reduced:	SO2N4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	331.153206
ΔH_f, kcal/mol:	-5.14
Dipole, Da:	4.3
IP(EA), eV:	-8.91(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-ethoxy-4-propoxybenzoyl)-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H](C)SC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=CC=C3OC

DOS

IR

Vibrations