Geometry & MOs

Info

ID:

320881

PubChem CID:

126664096

Reduced:

ClOS2N5C20H20 (1)

Stoich.:

ABC2D5E20F20 (1)

Weight, g/mol:

581.27127

ΔHf, kcal/mol:

77.08

Dipole, Da:

4.1

IP(EA), eV:

 -8.64(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,4aS,5aR,12aS)-8-[(cyclopropylmethylamino)methyl]-4-(dimethylamino)-3,11-dihydroxy-12,12a-dimethoxy-10-oxo-7-(trifluoromethyl)-1,4,4a,5,5a,6,8,9-octahydrotetracene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C2=CSC(=N2)NC(=O)CN(/C=C(\C)/C3=CC=CC=C3Cl)N=C

DOS

IR

Vibrations