Geometry & MOs

Info

ID:	433431
PubChem CID:	135173568
Reduced:	NSO4C18H25 (1)
Stoich.:	ABC4D18E25 (1)
Weight, g/mol:	365.16608
ΔH_f, kcal/mol:	-157.34
Dipole, Da:	1.67
IP(EA), eV:	-9.38(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC(CC2)C(=O)N3CCC3

DOS

IR

Vibrations