Geometry & MOs

Info

ID:	74160
PubChem CID:	48421531
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	295.116821
ΔH_f, kcal/mol:	-56.65
Dipole, Da:	2.99
IP(EA), eV:	-8.8(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropyl-(4-nitro-1H-pyrrole-2-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)C(=O)NC2=NC(=CS2)C3=CC=CC=C3

DOS

IR

Vibrations