Geometry & MOs

Info

ID:	235402
PubChem CID:	92708467
Reduced:	SN3O5C22H25 (1)
Stoich.:	AB3C5D22E25 (1)
Weight, g/mol:	451.192963
ΔH_f, kcal/mol:	-165.79
Dipole, Da:	4.09
IP(EA), eV:	-8.99(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-cycloheptyl-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CNC(=O)[C@@H]2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4

DOS

IR

Vibrations