Geometry & MOs

Info

ID:	217378
PubChem CID:	85087723
Reduced:	O5C21H26 (1)
Stoich.:	A5B21C26 (1)
Weight, g/mol:	358.189257
ΔH_f, kcal/mol:	-171.4
Dipole, Da:	2.69
IP(EA), eV:	-8.33(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(5-cyano-2-methyl-4-oxopentanoyl)amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C=CC1=CC(=C(C2=C1C=CC=C2C(C)C)OCOC)OC

DOS

IR

Vibrations