Geometry & MOs

Info

ID:	306666
PubChem CID:	125165238
Reduced:	N2O3C18H22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	372.161997
ΔH_f, kcal/mol:	-64.97
Dipole, Da:	4.38
IP(EA), eV:	-9.03(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N,6,6-trimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-oxothiomorpholine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCC(=O)N2CC[C@@H](C2)OC3=CC=CC=C3

DOS

IR

Vibrations