Geometry & MOs

Info

ID:	155662
PubChem CID:	56366714
Reduced:	BrO2N3H14C18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	431.040578
ΔH_f, kcal/mol:	-10.08
Dipole, Da:	3.53
IP(EA), eV:	-8.95(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-[[3-chloro-2-(difluoromethylsulfanyl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)Br)NC(=O)C2=C3C=CC=NC3=CC=C2

DOS

IR

Vibrations