Geometry & MOs

Info

ID:	39388
PubChem CID:	8140600
Reduced:	SO2N3C22H29 (1)
Stoich.:	AB2C3D22E29 (1)
Weight, g/mol:	399.198048
ΔH_f, kcal/mol:	-60.1
Dipole, Da:	3.44
IP(EA), eV:	-8.48(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CS[C@@H](C)C(=O)NCC2=CC=CC=C2CN(C)C

DOS

IR

Vibrations