Geometry & MOs

Info

ID:

161968

PubChem CID:

57393195

Reduced:

ClSN4O5C29H33 (1)

Stoich.:

ABC4D5E29F33 (1)

Weight, g/mol:

525.046287

ΔHf, kcal/mol:

-168.41

Dipole, Da:

1.07

IP(EA), eV:

 -8.87(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-carbamoyl-6-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC(C)N1CCC2=C(C1)SC(=N2)C(=O)NC3=C(C(=CC(=C3)C(=O)O)OC(C)C)CCC(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations