Geometry & MOs

Info

ID:	310828
PubChem CID:	126587982
Reduced:	NSO2C21H25 (1)
Stoich.:	ABC2D21E25 (1)
Weight, g/mol:	391.06055
ΔH_f, kcal/mol:	-39.14
Dipole, Da:	2.09
IP(EA), eV:	-8.92(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-bromo-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanethioamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C(=CC=C2)C3CC3)NC(=O)SC)C

DOS

IR

Vibrations