Geometry & MOs

Info

ID:	195086
PubChem CID:	78632571
Reduced:	ClFO2N3H17C19 (1)
Stoich.:	ABC2D3E17F19 (1)
Weight, g/mol:	361.055484
ΔH_f, kcal/mol:	-44.97
Dipole, Da:	4.16
IP(EA), eV:	-8.98(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OC)F)NC(=O)C=CC2=C(N=C3N2C=CC=C3)Cl

DOS

IR

Vibrations