Geometry & MOs

Info

ID:	227200
PubChem CID:	87560557
Reduced:	SH22C30 (1)
Stoich.:	AB22C30 (1)
Weight, g/mol:	404.079548
ΔH_f, kcal/mol:	117.26
Dipole, Da:	1.64
IP(EA), eV:	-8.27(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[difluoro-(2,3,4-trifluorophenyl)methyl]-[[4-[hydroxy(methyl)carbamoyl]phenyl]methyl]carbamic acid

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C(=CC2=C1)C=CC=C3CSCC4=CC=CC5=CC6=CC=CC=C6C=C54

DOS

IR

Vibrations