Geometry & MOs

Info

ID:	243289
PubChem CID:	99218199
Reduced:	ClSF2O2N4H11C20 (1)
Stoich.:	ABC2D2E4F11G20 (1)
Weight, g/mol:	389.175771
ΔH_f, kcal/mol:	-38.81
Dipole, Da:	4.21
IP(EA), eV:	-9.13(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-[[(5S,7S)-3-chloroadamantane-1-carbonyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N2C(=O)C=CC(=N2)C(=O)NC3=NC(=CS3)C4=CC(=C(C=C4)F)Cl)F

DOS

IR

Vibrations