Geometry & MOs

Info

ID:	65020
PubChem CID:	29204342
Reduced:	O2Cl3N4H13C17 (1)
Stoich.:	A2B3C4D13E17 (1)
Weight, g/mol:	429.041375
ΔH_f, kcal/mol:	6.17
Dipole, Da:	2.38
IP(EA), eV:	-9.61(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=C(O2)CCC(=O)NNC3=C(C=C(C=C3Cl)Cl)Cl

DOS

IR

Vibrations