Geometry & MOs

Info

ID:	208066
PubChem CID:	80488293
Reduced:	N5C15H23 (1)
Stoich.:	A5B15C23 (1)
Weight, g/mol:	302.92326
ΔH_f, kcal/mol:	39.95
Dipole, Da:	2.49
IP(EA), eV:	-8.22(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N'-(3-bromo-4-chlorophenyl)-N-cyanocarbamimidothioate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)N2C(=NC(=N2)NCC(C)C)N)C

DOS

IR

Vibrations