Geometry & MOs

Info

ID:

329295

PubChem CID:

126734307

Reduced:

FS2N4O7C34H41 (1)

Stoich.:

AB2C4D7E34F41 (1)

Weight, g/mol:

641.313472

ΔHf, kcal/mol:

-259.93

Dipole, Da:

5.38

IP(EA), eV:

 -9.17(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC1)CN(C[C@H]([C@H](CC2=CC=C(C=C2)F)NC(=O)OC3C4CC5CC3OC5OC4)O)S(=O)(=O)C6=CC7=C(C=C6)N=C(S7)NC8CC8

DOS

IR

Vibrations