Geometry & MOs

Info

ID:	177094
PubChem CID:	76135139
Reduced:	IO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	677.38222
ΔH_f, kcal/mol:	-107.16
Dipole, Da:	1.62
IP(EA), eV:	-9.3(-2.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-[2-[[2-[[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]hexanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(COCC1=CC=CC=C1)COI

DOS

IR

Vibrations