Geometry & MOs

Info

ID:	155708
PubChem CID:	56367090
Reduced:	SN4O7C22H28 (1)
Stoich.:	AB4C7D22E28 (1)
Weight, g/mol:	388.07864
ΔH_f, kcal/mol:	-223.68
Dipole, Da:	5.94
IP(EA), eV:	-9.44(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-3-(2,4-dimethylphenyl)propanamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)C(=O)NCCC(=O)NCC2=CC=NC=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations