Geometry & MOs

Info

ID:	194956
PubChem CID:	78613067
Reduced:	SN2O5C19H28 (1)
Stoich.:	AB2C5D19E28 (1)
Weight, g/mol:	269.116427
ΔH_f, kcal/mol:	-199.93
Dipole, Da:	6.75
IP(EA), eV:	-9.45(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-(2-methylphenyl)prop-2-enoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C)C(=O)N(C)C)C

DOS

IR

Vibrations