Geometry & MOs

Info

ID:

329296

PubChem CID:

126734311

Reduced:

SN3O7C34H47 (1)

Stoich.:

AB3C7D34E47 (1)

Weight, g/mol:

630.272336

ΔHf, kcal/mol:

-264.23

Dipole, Da:

7.28

IP(EA), eV:

 -9.26(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl N-[(2S,3R)-4-[(1,3-benzoxazol-6-ylsulfonylamino)-(3-methylbutyl)amino]-1-cyclohexa-2,4-dien-1-yl-3-hydroxybutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OC2C3CC4CC2OC4OC3)O)S(=O)(=O)C5=CC=C(C=C5)C6(CC6)CNC

DOS

IR

Vibrations