Geometry & MOs

Info

ID:

178795

PubChem CID:

76383741

Reduced:

NO3C20H21 (1)

Stoich.:

AB3C20D21 (1)

Weight, g/mol:

1009.547096

ΔHf, kcal/mol:

-79.46

Dipole, Da:

4.67

IP(EA), eV:

 -9.41(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[[8-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-1,5,7,9,11,13,14-heptamethyl-4,17-dioxo-3,16,18-trioxa-13-azabicyclo[13.3.0]octadecan-6-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl] N-[2-[(4-nitrobenzoyl)amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1C(=O)N(C1(CC2=CC=CC=C2)C(=O)O)CC3=CC=C(C=C3)C

DOS

IR

Vibrations