Geometry & MOs

Info

ID:	337180
PubChem CID:	127256745
Reduced:	SO2N4C5H11 (2)
Stoich.:	AB2C4D5E11 (2)
Weight, g/mol:	454.092309
ΔH_f, kcal/mol:	-95.21
Dipole, Da:	1.9
IP(EA), eV:	-8.7(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloroethyl)-3-[1-[[2-chloroethyl(nitroso)carbamoyl]amino]-4-phenylcyclohexa-2,4-dien-1-yl]-1-nitrosourea

Drug info:

PubChemData

Smile

C/C(=N\N=C(\N(S(=O)(=O)C)C)/N)/C(=N/N=C(/N(S(=O)(=O)C)C)\N)/C

DOS

IR

Vibrations