Geometry & MOs

Info

ID:	234404
PubChem CID:	92298351
Reduced:	ClNO2H8C9 (2)
Stoich.:	ABC2D8E9 (2)
Weight, g/mol:	390.140199
ΔH_f, kcal/mol:	-88.11
Dipole, Da:	4.75
IP(EA), eV:	-8.56(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-benzylsulfanyl-N-[(Z)-(4-phenoxyphenyl)methylideneamino]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N/N=C(\C)/C1=CC2=C(C=C1)OCO2)OC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations