Geometry & MOs

Info

ID:	381698
PubChem CID:	134972503
Reduced:	Cl2N2O5C22H22 (1)
Stoich.:	A2B2C5D22E22 (1)
Weight, g/mol:	408.081364
ΔH_f, kcal/mol:	-153.4
Dipole, Da:	3.71
IP(EA), eV:	-9.53(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl N-[(E)-(2-oxo-1,2-dithiophen-2-ylethylidene)amino]-N-propan-2-yloxycarbonylcarbamate

Drug info:

PubChemData

Smile

CC(C)OC(=O)N(C(=O)OC(C)C)/N=C(/C1=CC=C(C=C1)Cl)\C(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations