Geometry & MOs

Info

ID:	195668
PubChem CID:	78720042
Reduced:	ClO3N4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	384.095535
ΔH_f, kcal/mol:	-57.5
Dipole, Da:	2.14
IP(EA), eV:	-9.4(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)NC(=O)CN(C)CC2=CC=C(C=C2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations