Geometry & MOs

Info

ID:	280360
PubChem CID:	103848612
Reduced:	BrNSO2C13H18 (1)
Stoich.:	ABCD2E13F18 (1)
Weight, g/mol:	281.043041
ΔH_f, kcal/mol:	-86.63
Dipole, Da:	2.56
IP(EA), eV:	-8.55(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NCC(C)(CSC)O)Br

DOS

IR

Vibrations