Geometry & MOs

Info

ID:	30210
PubChem CID:	840744
Reduced:	ClSO2N3C16H16 (1)
Stoich.:	ABC2D3E16F16 (1)
Weight, g/mol:	205.085127
ΔH_f, kcal/mol:	-61.17
Dipole, Da:	4.35
IP(EA), eV:	-9.15(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-cyano-3-(1,3-dimethylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=C(S2)NC(=O)NC3=CC(=CC=C3)Cl)C(=O)N

DOS

IR

Vibrations