Geometry & MOs

Info

ID:	445496
PubChem CID:	135267385
Reduced:	OC6H11 (2)
Stoich.:	AB6C11 (2)
Weight, g/mol:	395.158886
ΔH_f, kcal/mol:	-112.34
Dipole, Da:	1.68
IP(EA), eV:	-9.61(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[(2R)-2-[2-(methylamino)-2-sulfanylacetyl]-2-propan-2-ylcyclopropyl]-4-phenylmethoxy-3-sulfanylbutan-2-one

Drug info:

PubChemData

Smile

CC(C)CCC/C(=C\C1OCCO1)/C

DOS

IR

Vibrations