Geometry & MOs

Info

ID:	354903
PubChem CID:	127287663
Reduced:	S2N3O4C15H21 (1)
Stoich.:	A2B3C4D15E21 (1)
Weight, g/mol:	347.141596
ΔH_f, kcal/mol:	-123.3
Dipole, Da:	8.4
IP(EA), eV:	-9.59(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclopropyl-4-oxopyrimidin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C1CCS(=O)(=O)C1)SC2=NC(=O)C=CN2C3CC3

DOS

IR

Vibrations