Geometry & MOs

Info

ID:	244303
PubChem CID:	99319758
Reduced:	O2S2N5C21H21 (1)
Stoich.:	A2B2C5D21E21 (1)
Weight, g/mol:	465.208613
ΔH_f, kcal/mol:	16.64
Dipole, Da:	6.09
IP(EA), eV:	-9.23(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)sulfonyl-N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=C2)[C@H](C)NC(=O)CSCC3=CC(=O)N4C=CSC4=N3

DOS

IR

Vibrations