Geometry & MOs

Info

ID:

329293

PubChem CID:

126734148

Reduced:

SN4O9C34H48 (1)

Stoich.:

AB4C9D34E48 (1)

Weight, g/mol:

587.266522

ΔHf, kcal/mol:

-377.85

Dipole, Da:

10.15

IP(EA), eV:

 -9.06(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(7S)-7-methyl-2,4-dioxatricyclo[4.3.1.03,8]decan-10-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(CCCOC(=O)NC)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OC2C3CC4CC2OC4OC3)O)S(=O)(=O)C5=CC=C(C=C5)N

DOS

IR

Vibrations