Geometry & MOs

Info

ID:	308005
PubChem CID:	125311695
Reduced:	ClN2S2O4C18H21 (1)
Stoich.:	AB2C2D4E18F21 (1)
Weight, g/mol:	450.201553
ΔH_f, kcal/mol:	-113.52
Dipole, Da:	7.37
IP(EA), eV:	-9.78(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(3-methoxyphenyl)-N-[5-methyl-2-(4-oxo-6-propyl-5H-pyrimidin-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CCC1=CC=NC=C1)[C@H]2CS(=O)(=O)C[C@H]2S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations