Geometry & MOs

Info

ID:

417629

PubChem CID:

135102328

Reduced:

SO2N4C21H28 (1)

Stoich.:

AB2C4D21E28 (1)

Weight, g/mol:

639.328151

ΔHf, kcal/mol:

-33.4

Dipole, Da:

3.92

IP(EA), eV:

 -8.65(-0.77)

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-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC=NC(=C12)N3CCC4(CC3)CN(C(=O)CCO4)CC5CC5)C

DOS

IR

Vibrations