Geometry & MOs

Info

ID:	39016
PubChem CID:	8138360
Reduced:	O3N5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	275.072848
ΔH_f, kcal/mol:	-33.87
Dipole, Da:	1.69
IP(EA), eV:	-8.98(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-phenylsulfanylacetyl)-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=CN3

DOS

IR

Vibrations