Geometry & MOs

Info

ID:	65023
PubChem CID:	29204345
Reduced:	Cl3N3O3H16C17 (1)
Stoich.:	A3B3C3D16E17 (1)
Weight, g/mol:	401.010074
ΔH_f, kcal/mol:	-75.99
Dipole, Da:	4.44
IP(EA), eV:	-9.47(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[3-[(2,4,6-trichloroanilino)carbamoyl]phenyl]carbamate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NNC2=C(C=C(C=C2Cl)Cl)Cl)C(=O)C3=CC=CO3

DOS

IR

Vibrations