Geometry & MOs

Info

ID:	217856
PubChem CID:	85088496
Reduced:	O6C23H34 (1)
Stoich.:	A6B23C34 (1)
Weight, g/mol:	406.246772
ΔH_f, kcal/mol:	-241.06
Dipole, Da:	2.78
IP(EA), eV:	-8.77(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-phenylbutanoate

Drug info:

PubChemData

Smile

CC1C=CC2=CCCC(C2C1CCC3CC(CC(=O)O3)O)OC(=O)C(C)CCO

DOS

IR

Vibrations