Geometry & MOs

Info

ID:

320890

PubChem CID:

126664123

Reduced:

OS2N3C17H17 (1)

Stoich.:

AB2C3D17E17 (1)

Weight, g/mol:

653.27127

ΔHf, kcal/mol:

24.29

Dipole, Da:

4.03

IP(EA), eV:

 -8.61(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4aS,5aR,12aR)-1-amino-8-[[cyclopropylmethyl(1-phenylethyl)amino]methyl]-10-hydroxy-12,12a-dimethoxy-3,11-dioxo-7-(trifluoromethyl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC(=O)NC2=NC(=CS2)C3=C(N=C(S3)C)C

DOS

IR

Vibrations