Geometry & MOs

Info

ID:

224150

PubChem CID:

85338755

Reduced:

NO13C38H69 (1)

Stoich.:

AB13C38D69 (1)

Weight, g/mol:

637.32642

ΔHf, kcal/mol:

-628.83

Dipole, Da:

6.48

IP(EA), eV:

 -8.73(0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoyl]-N-[3-[(9,10-dioxoanthracen-1-yl)amino]propyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2C(C(C(C(O2)OC)OC)OC)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)C

DOS

IR

Vibrations