Geometry & MOs

Info

ID:	169577
PubChem CID:	75121373
Reduced:	ClS2N3O5H16C19 (1)
Stoich.:	AB2C3D5E16F19 (1)
Weight, g/mol:	392.034604
ΔH_f, kcal/mol:	-107.09
Dipole, Da:	3.41
IP(EA), eV:	-8.82(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC2=C1CCC2)NC(=O)COC(=O)C=CC3=C(N=C4N3C=CS4)Cl

DOS

IR

Vibrations