Geometry & MOs

Info

ID:	296753
PubChem CID:	117591417
Reduced:	ClSN4O7C31H45 (1)
Stoich.:	ABC4D7E31F45 (1)
Weight, g/mol:	542.204446
ΔH_f, kcal/mol:	-170.62
Dipole, Da:	4.79
IP(EA), eV:	-8.95(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea;methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)N(CCCl)N=O.CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4.OS(=O)(=O)O

DOS

IR

Vibrations