Geometry & MOs

Info

ID:	335968
PubChem CID:	127254975
Reduced:	ClNO4H26C35 (1)
Stoich.:	ABC4D26E35 (1)
Weight, g/mol:	387.105291
ΔH_f, kcal/mol:	-25.04
Dipole, Da:	5.09
IP(EA), eV:	-8.38(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(3-fluorophenyl)-2-(4-pyrrol-1-ylbutanoylamino)-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C3(C4N2C5=C(C=C4)C=C(C=C5)Cl)C(=O)C6=CC=CC=C6C3=O)C7=CC(=CC=C7)OC

DOS

IR

Vibrations