Geometry & MOs

Info

ID:	157261
PubChem CID:	56422466
Reduced:	S2O3N4H22C24 (1)
Stoich.:	A2B3C4D22E24 (1)
Weight, g/mol:	424.135782
ΔH_f, kcal/mol:	-16.2
Dipole, Da:	7.33
IP(EA), eV:	-9.06(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC3=NC(=CS3)C4=CC=NC=C4)C

DOS

IR

Vibrations