Geometry & MOs

Info

ID:

179565

PubChem CID:

76500899

Reduced:

OCl2N3C29H37 (1)

Stoich.:

AB2C3D29E37 (1)

Weight, g/mol:

758.348671

ΔHf, kcal/mol:

14.82

Dipole, Da:

4.12

IP(EA), eV:

 -8.4(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4-amino-1-hydroxybutan-2-yl)-[2-[4-[2-[(4-amino-1-hydroxybutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]-1-(carboxyamino)-4-methyl-1-oxopentan-2-yl]amino]carbamic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC2=C(C=C(C=C2)Cl)Cl)CCC1)NOCC(C)CN3CCN(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations