Geometry & MOs

Info

ID:	344274
PubChem CID:	127267450
Reduced:	ClSO2N3C15H16 (1)
Stoich.:	ABC2D3E15F16 (1)
Weight, g/mol:	340.164774
ΔH_f, kcal/mol:	-54.91
Dipole, Da:	5.25
IP(EA), eV:	-9.31(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)N=C(N1)CNC(=O)C(C)SC2=CC=CC=C2Cl

DOS

IR

Vibrations