Geometry & MOs

Info

ID:	133182
PubChem CID:	51488507
Reduced:	NOC11H14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	387.150429
ΔH_f, kcal/mol:	-66.26
Dipole, Da:	4.77
IP(EA), eV:	-8.57(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylphenyl)methyl 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)NC3=CC(=CC=C3)OC

DOS

IR

Vibrations