Geometry & MOs

Info

ID:	306667
PubChem CID:	125165244
Reduced:	SO2N4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	372.161997
ΔH_f, kcal/mol:	-34.19
Dipole, Da:	4.62
IP(EA), eV:	-9.13(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C=C(C=N2)CN(C)C(=O)[C@@H]3CSC(C(=O)N3)(C)C

DOS

IR

Vibrations