Geometry & MOs

Info

ID:	36881
PubChem CID:	8014225
Reduced:	NSO4C22H27 (1)
Stoich.:	ABC4D22E27 (1)
Weight, g/mol:	370.098728
ΔH_f, kcal/mol:	-146.55
Dipole, Da:	8.11
IP(EA), eV:	-8.69(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

CC[C@H](C)C1=CC=CC=C1NC(=O)[C@H](C)OC(=O)C2=C(C=C(C=C2)SC)OC

DOS

IR

Vibrations