Geometry & MOs

Info

ID:	304345
PubChem CID:	124546230
Reduced:	NO5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	380.096141
ΔH_f, kcal/mol:	-102.32
Dipole, Da:	5.21
IP(EA), eV:	-8.7(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-benzyl-2-(4-chloro-N-methylsulfonylanilino)-N-methylpropanamide

Drug info:

PubChemData

Smile

CO[C@H]1[C@@H]2CC[C@@H]1OCCN2C(=O)C3=CC4=C(O3)C(=CC=C4)OC

DOS

IR

Vibrations