Geometry & MOs

Info

ID:

423159

PubChem CID:

135119031

Reduced:

N2O2C15H22 (1)

Stoich.:

A2B2C15D22 (1)

Weight, g/mol:

734.346169

ΔHf, kcal/mol:

-85.53

Dipole, Da:

4.67

IP(EA), eV:

-9.72(-0.51)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[(9S,12S,15R)-12-benzyl-24-methoxy-4,10,13,16-tetraoxo-15-propan-2-yl-2-oxa-5,11,14,17-tetrazabicyclo[19.3.1]pentacosa-1(24),21(25),22-trien-9-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(=O)NCCCCC2CCCO2

DOS

IR

Vibrations