Geometry & MOs

Info

ID:	35214
PubChem CID:	7979519
Reduced:	N2O3C18H20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	381.114314
ΔH_f, kcal/mol:	-77.55
Dipole, Da:	1.96
IP(EA), eV:	-9.16(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)NNC(=O)C2=C(C=CC(=C2)C)C

DOS

IR

Vibrations