Geometry & MOs

Info

ID:

414649

PubChem CID:

135087608

Reduced:

ON3C17H27 (1)

Stoich.:

AB3C17D27 (1)

Weight, g/mol:

725.353697

ΔHf, kcal/mol:

-21.06

Dipole, Da:

5.72

IP(EA), eV:

-8.72(0.91)

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]imidazo[1,2-a]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)CC2=CC[C@H](CC2)C(=C)C

DOS

IR

Vibrations