Geometry & MOs

Info

ID:	41720
PubChem CID:	8146943
Reduced:	ON3C23H29 (1)
Stoich.:	AB3C23D29 (1)
Weight, g/mol:	398.166414
ΔH_f, kcal/mol:	-9.25
Dipole, Da:	6.66
IP(EA), eV:	-9.01(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2,3-dihydro-1H-inden-5-yl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)[C@H](C(C)C)N[C@@H](C)C2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations