Geometry & MOs

Info

ID:	156690
PubChem CID:	56371753
Reduced:	ClN2O2C21H29 (1)
Stoich.:	AB2C2D21E29 (1)
Weight, g/mol:	427.169641
ΔH_f, kcal/mol:	-97.7
Dipole, Da:	3.7
IP(EA), eV:	-8.9(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chlorophenyl)sulfonylamino]-N-(1-cycloheptylpyrrolidin-3-yl)propanamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)N2CCC(C2)NC(=O)C3CC4=C(C=CC(=C4)Cl)OC3

DOS

IR

Vibrations