Geometry & MOs

Info

ID:	35056
PubChem CID:	7979241
Reduced:	SN3O4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	415.156577
ΔH_f, kcal/mol:	-103.06
Dipole, Da:	5.83
IP(EA), eV:	-9.43(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenoxyacetamide

Drug info:

PubChemData

Smile

C[C@](C#N)(C1CC1)NC(=O)COC(=O)[C@H]2CS[C@@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations