Geometry & MOs

Info

ID:

194063

PubChem CID:

78476152

Reduced:

NSO5C17H20 (1)

Stoich.:

ABC5D17E20 (1)

Weight, g/mol:

327.170868

ΔHf, kcal/mol:

-204.34

Dipole, Da:

5.51

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.758641

Charge, e:

 -1

Chem-info

IUPAC name:

2-(1-adamantylcarbamoylamino)-2-phenylacetate

Drug info:

PubChemData

Smile

CC(C)OCCCN1C(=O)CC(C1=O)SC2=CC=CC=C2C(=O)[O-]

DOS

IR

Vibrations