Geometry & MOs

Info

ID:	420186
PubChem CID:	135111722
Reduced:	SN2O4C18H28 (1)
Stoich.:	AB2C4D18E28 (1)
Weight, g/mol:	324.135304
ΔH_f, kcal/mol:	-168.04
Dipole, Da:	7.61
IP(EA), eV:	-9.7(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-4-chloro-N,5-dimethyl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations