Geometry & MOs

Info

ID:

423968

PubChem CID:

135120895

Reduced:

O2N5C14H17 (1)

Stoich.:

A2B5C14D17 (1)

Weight, g/mol:

653.343801

ΔHf, kcal/mol:

-23.72

Dipole, Da:

2.47

IP(EA), eV:

 -9.01(-0.84)

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-(tetrazol-1-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(N=CN1)C(=O)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations