Geometry & MOs

Info

ID:	49957
PubChem CID:	11538373
Reduced:	O3N9H13C17 (1)
Stoich.:	A3B9C13D17 (1)
Weight, g/mol:	391.099063
ΔH_f, kcal/mol:	128.93
Dipole, Da:	4.06
IP(EA), eV:	-9.01(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(hydroxycarbamoyl)phenyl]but-3-ynyl]-4-phenyl-1,3-thiazole-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=C2C(=N1)N=C(N3C2=NC(=N3)C4=CC=CO4)NC(=O)N=C5C=CN(C=C5)O

DOS

IR

Vibrations