Geometry & MOs

Info

ID:	224705
PubChem CID:	85346990
Reduced:	O9C23H26 (1)
Stoich.:	A9B23C26 (1)
Weight, g/mol:	446.202857
ΔH_f, kcal/mol:	-338.99
Dipole, Da:	3.96
IP(EA), eV:	-8.62(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-[methyl-(2,2,2-trifluoroacetyl)amino]-3-(phenylmethoxycarbonylamino)hexanoate

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C2C(C3COC(=O)C3(C(C2=C1)C4=CC(=C(C(=C4)OC)O)OC)O)O)O

DOS

IR

Vibrations