Geometry & MOs

Info

ID:	36491
PubChem CID:	8007525
Reduced:	FOSN2C20H23 (1)
Stoich.:	ABCD2E20F23 (1)
Weight, g/mol:	389.195071
ΔH_f, kcal/mol:	-59.48
Dipole, Da:	5.25
IP(EA), eV:	-9.19(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Drug info:

PubChemData

Smile

CC1=NC(=C(S1)CC(=O)NCCC2=CCCCC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations