Geometry & MOs

Info

ID:	77685
PubChem CID:	49658638
Reduced:	F2O2S2N4H18C23 (1)
Stoich.:	A2B2C2D4E18F23 (1)
Weight, g/mol:	480.108996
ΔH_f, kcal/mol:	-55.88
Dipole, Da:	9.49
IP(EA), eV:	-8.94(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]-N-(thiophen-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C=CN=C2SCC(=O)NC3=C(C=CC(=C3)F)F)C(=O)NCC4=CC=CS4

DOS

IR

Vibrations