Geometry & MOs

Info

ID:	66289
PubChem CID:	46501295
Reduced:	Br3N3O6H16C24 (1)
Stoich.:	A3B3C6D16E24 (1)
Weight, g/mol:	317.056719
ΔH_f, kcal/mol:	-105.06
Dipole, Da:	4.76
IP(EA), eV:	-9.28(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-(2-anilino-2-oxoethylidene)amino] N-(3-chlorophenyl)carbamate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)N/N=C/C3=C(C(=CC(=C3)Br)Br)OC(=O)C4=CC=CC=C4Br

DOS

IR

Vibrations