Geometry & MOs

Info

ID:

186523

PubChem CID:

77442674

Reduced:

NO13C21H35 (1)

Stoich.:

AB13C21D35 (1)

Weight, g/mol:

632.324371

ΔHf, kcal/mol:

-572.98

Dipole, Da:

5.13

IP(EA), eV:

 -8.86(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[18-cyclohexa-2,4-dien-1-yl-4-(cyclopropylsulfonylcarbamoyl)-18-hydroxy-15-oxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)OC1C(C(C(C(O1)CO)OC2C(C(C(=CO2)NC3C=C(C(C(C3O)O)O)CO)O)O)O)O

DOS

IR

Vibrations