Geometry & MOs

Info

ID:	175968
PubChem CID:	75976379
Reduced:	N4O4C18H21 (1)
Stoich.:	A4B4C18D21 (1)
Weight, g/mol:	415.131425
ΔH_f, kcal/mol:	-100.76
Dipole, Da:	5.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764809
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-5-[5-(pyrrolidine-1-carbonyl)-3H-1,3,4-oxadiazol-2-ylidene]pyrrole-3-sulfonamide

Drug info:

PubChemData

Smile

CN1C2=[N+](C=CC2C(=O)N(C1=O)C)CC(=O)NCC3=CC(=CC=C3)OC

DOS

IR

Vibrations