Geometry & MOs

Info

ID:	244255
PubChem CID:	99319604
Reduced:	FO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	442.192629
ΔH_f, kcal/mol:	-76.57
Dipole, Da:	3.75
IP(EA), eV:	-9.78(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)sulfonyl-N-[2-[(2-phenylacetyl)amino]ethyl]cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)NCCNC(=O)CC3=CC=CC=C3

DOS

IR

Vibrations