Geometry & MOs

Info

ID:

297960

PubChem CID:

117636669

Reduced:

ClNO3C16H18 (1)

Stoich.:

ABC3D16E18 (1)

Weight, g/mol:

729.358507

ΔHf, kcal/mol:

-120.31

Dipole, Da:

2.56

IP(EA), eV:

 -8.13(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (1R,10S,11S,12R,17R)-5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-7-butoxy-11-hydroxy-14-phenyl-13,15,18-trioxa-2,4,6,9-tetrazatetracyclo[8.8.0.03,8.012,17]octadeca-3(8),4,6-triene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCC2=C1C3=C(C=CC(=C3N2)Cl)OC

DOS

IR

Vibrations