Geometry & MOs

Info

ID:	77684
PubChem CID:	49658637
Reduced:	O2S2N4H24C25 (1)
Stoich.:	A2B2C4D24E25 (1)
Weight, g/mol:	484.083925
ΔH_f, kcal/mol:	21.32
Dipole, Da:	7.45
IP(EA), eV:	-8.92(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-(thiophen-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CSC2=NC=CN2C3=CC=CC(=C3)C(=O)NCC4=CC=CS4)C

DOS

IR

Vibrations