Geometry & MOs

Info

ID:

398873

PubChem CID:

135035949

Reduced:

H51C73 (2)

Stoich.:

A51B73 (2)

Weight, g/mol:

492.128983

ΔHf, kcal/mol:

601.23

Dipole, Da:

1.29

IP(EA), eV:

 -7.61(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R,14R)-2-hydroxy-3-(1H-indol-3-yl)-18-methyl-14-propan-2-yl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C=CC3=CC4=C(C5=C(C=CC(=C5)C6=CC7=C(C=CC8=CC9=C(C1=C(C=CC(=C1)C1=CC5=C(C=C1)C=CC1=C5C(=C5C(=C1)C=CC1=C5C=C(C=C1)C1=CC5=C(C=C1)C=CC1=C5C(=C5C(=C1)C=CC1=C5C=C(C=C1)C)C1=CC=C(C=C1)C1=CC(=CC(=C1)C)C)C1=CC=C(C=C1)C1=CC(=CC(=C1)C)C)C=C9)C(=C87)C1=CC=C(C=C1)C1=CC(=CC(=C1)C)C)C=C6)C=C4)C(=C32)C1=CC=C(C=C1)C1=CC(=CC(=C1)C)C

DOS

IR

Vibrations