Geometry & MOs

Info

ID:	245671
PubChem CID:	100053924
Reduced:	SN2O5C20H26 (1)
Stoich.:	AB2C5D20E26 (1)
Weight, g/mol:	440.123978
ΔH_f, kcal/mol:	-172.82
Dipole, Da:	4.49
IP(EA), eV:	-8.64(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCNC(=O)[C@@H](C)N(C2=CC(=CC=C2)OC)S(=O)(=O)C

DOS

IR

Vibrations