Geometry & MOs

Info

ID:	157469
PubChem CID:	56430362
Reduced:	O2S2N3H19C22 (1)
Stoich.:	A2B2C3D19E22 (1)
Weight, g/mol:	457.087846
ΔH_f, kcal/mol:	30.63
Dipole, Da:	6.74
IP(EA), eV:	-8.93(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-oxopiperazin-1-yl)sulfonyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=C(SC(=C1)C2=CC=CC=C2)C(=O)NCC3=NC(=CS3)C4=CC=NC=C4

DOS

IR

Vibrations