Geometry & MOs

Info

ID:	195701
PubChem CID:	78724652
Reduced:	FOSN2C18H21 (1)
Stoich.:	ABCD2E18F21 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-44.57
Dipole, Da:	6.66
IP(EA), eV:	-8.44(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=S)NC(C)C2=CC(=C(C=C2)OC)F

DOS

IR

Vibrations