Geometry & MOs

Info

ID:

329292

PubChem CID:

126734119

Reduced:

SN4O9C35H46 (1)

Stoich.:

AB4C9D35E46 (1)

Weight, g/mol:

688.3142

ΔHf, kcal/mol:

-313.04

Dipole, Da:

10.33

IP(EA), eV:

 -8.55(-1.23)

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)-4-[(4-aminophenyl)sulfonyl-[2,2-dimethyl-5-(methylcarbamoyloxy)pentyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)CN(C[C@H]([C@H](CC1=CC=C(C=C1)OC)NC(=O)OC2C3CCC4CC2OC4OC3)O)S(=O)(=O)C5=CC6=C(C=C5)N=C(O6)NC7CC7

DOS

IR

Vibrations