Geometry & MOs

Info

ID:	169555
PubChem CID:	75119991
Reduced:	O4N6C27H32 (1)
Stoich.:	A4B6C27D32 (1)
Weight, g/mol:	461.082761
ΔH_f, kcal/mol:	-91.88
Dipole, Da:	8.07
IP(EA), eV:	-8.66(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-[3-(methanesulfonamido)anilino]-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1C(NC(NC1=O)N2C(=CC(=N2)C3=CC=CO3)NC(=O)C4CC(=O)N(C4)C5=CC(=C(C=C5)C)C)C

DOS

IR

Vibrations