Geometry & MOs

Info

ID:

414581

PubChem CID:

135087540

Reduced:

NO2C10H14 (2)

Stoich.:

AB2C10D14 (2)

Weight, g/mol:

717.384997

ΔHf, kcal/mol:

-166.87

Dipole, Da:

3.74

IP(EA), eV:

 -9.04(-0.22)

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-(2-methylpyrazol-3-yl)propanamide

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1C(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)C(=O)O

DOS

IR

Vibrations