Geometry & MOs

Info

ID:	32454
PubChem CID:	7836293
Reduced:	SN2O4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	400.145678
ΔH_f, kcal/mol:	-127.61
Dipole, Da:	4.56
IP(EA), eV:	-8.95(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-adamantylamino)-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C(=O)COC(=O)CSC2=NC3=CC=CC=C3O2)C

DOS

IR

Vibrations