Geometry & MOs

Info

ID:

417060

PubChem CID:

135091238

Reduced:

N3O4C18H21 (1)

Stoich.:

A3B4C18D21 (1)

Weight, g/mol:

639.316917

ΔHf, kcal/mol:

-79.73

Dipole, Da:

5.85

IP(EA), eV:

 -9.15(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3R,7R,10S,13S,15R)-3-(1H-indol-3-ylmethyl)-7-methyl-2,5,12-trioxo-10-propan-2-yl-1,4,11-triazabicyclo[11.3.0]hexadecan-15-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1O)C(=O)C2=C(ON=C2N3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations