Geometry & MOs

Info

ID:

417300

PubChem CID:

135091961

Reduced:

SO2N5C18H21 (1)

Stoich.:

AB2C5D18E21 (1)

Weight, g/mol:

720.363533

ΔHf, kcal/mol:

0.24

Dipole, Da:

2.69

IP(EA), eV:

 -9.69(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,13S)-14-[2-[3-(cyclopropanecarbonyl)indol-1-yl]acetyl]-2-(3-methylbutanoyl)-6-(3-phenyl-1,2-oxazole-5-carbonyl)-2,6,11,14-tetrazabicyclo[11.2.1]hexadecan-12-one

Drug info:

PubChemData

Smile

CC[C@@]1(C[C@H]2CC[C@@H]1N2C(=O)C3=NC=CN=C3)C(=O)NCC4=CSC=N4

DOS

IR

Vibrations