Geometry & MOs

Info

ID:	37957
PubChem CID:	8025896
Reduced:	N2S2O3H16C17 (1)
Stoich.:	A2B2C3D16E17 (1)
Weight, g/mol:	341.210327
ΔH_f, kcal/mol:	-79.66
Dipole, Da:	3.49
IP(EA), eV:	-8.59(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[3-(dimethylamino)propylamino]-N-(4-phenoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)C(=O)OCC2=NC3=C(C4=C(S3)CCC4)C(=O)N2

DOS

IR

Vibrations