Geometry & MOs

Info

ID:

185980

PubChem CID:

77374785

Reduced:

SiN2O5C35H47 (1)

Stoich.:

AB2C5D35E47 (1)

Weight, g/mol:

740.37607

ΔHf, kcal/mol:

-209.16

Dipole, Da:

3.53

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753846

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[1-[2-[[5-amino-4-hydroxy-6-phenyl-2-[[4-(trifluoromethoxy)phenyl]methyl]hexanoyl]amino]-3-methylbutanoyl]piperidin-4-yl]-N-ethylcarbamate

Drug info:

PubChemData

Smile

CC(C)(C)C(CC(CC1=CC=C(C=C1)C2=CC=NC=C2)(C(=O)O)O[Si](C)C)C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C

DOS

IR

Vibrations