Geometry & MOs

Info

ID:	135414
PubChem CID:	51868511
Reduced:	OSN3C20H21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	405.208613
ΔH_f, kcal/mol:	44.45
Dipole, Da:	2.87
IP(EA), eV:	-8.95(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[2-[2-(1-adamantyl)ethylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)N[C@@H](C)C3=CC=CS3

DOS

IR

Vibrations