Geometry & MOs

Info

ID:	74217
PubChem CID:	48421596
Reduced:	SN3O3C19H23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	309.132471
ΔH_f, kcal/mol:	-60.42
Dipole, Da:	4.78
IP(EA), eV:	-8.71(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)C(=O)NC2=NC(=CS2)C3=CC=CC=C3

DOS

IR

Vibrations