Geometry & MOs

Info

ID:	387653
PubChem CID:	134986310
Reduced:	ClN4H7C13 (1)
Stoich.:	AB4C7D13 (1)
Weight, g/mol:	339.93786
ΔH_f, kcal/mol:	145.93
Dipole, Da:	3.43
IP(EA), eV:	-10.38(-2.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl N'-(iodomethylsulfonyl)carbamimidate

Drug info:

PubChemData

Smile

CC1=C(C(=NC#N)C2=CC=CC=C2C1=NC#N)Cl

DOS

IR

Vibrations