Geometry & MOs

Info

ID:	159888
PubChem CID:	57288857
Reduced:	SN3O3Cl4H13C18 (1)
Stoich.:	AB3C3D4E13F18 (1)
Weight, g/mol:	379.093498
ΔH_f, kcal/mol:	-58.47
Dipole, Da:	5.7
IP(EA), eV:	-9.25(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[1-[1-[(4-chloro-2-nitrophenyl)methyl]pyrrol-2-yl]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)Cl)OC3=C(C=C(C=C3Cl)Cl)Cl)C

DOS

IR

Vibrations