Geometry & MOs

Info

ID:	214266
PubChem CID:	84974834
Reduced:	SN3O3C22H29 (1)
Stoich.:	AB3C3D22E29 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-87.11
Dipole, Da:	5.19
IP(EA), eV:	-8.12(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetylphenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]propanamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CNC(=O)C(CCSC)NC(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations