Geometry & MOs

Info

ID:	311099
PubChem CID:	126589424
Reduced:	SN5O5C18H25 (1)
Stoich.:	AB5C5D18E25 (1)
Weight, g/mol:	391.06055
ΔH_f, kcal/mol:	-210.44
Dipole, Da:	4.57
IP(EA), eV:	-9.3(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)NCC(=O)N)NC(=O)CNC(=O)CNC(=O)CCS

DOS

IR

Vibrations