Geometry & MOs

Info

ID:

315699

PubChem CID:

126628586

Reduced:

NO2C15H15 (1)

Stoich.:

AB2C15D15 (1)

Weight, g/mol:

590.248897

ΔHf, kcal/mol:

-27.68

Dipole, Da:

4.7

IP(EA), eV:

 -8.59(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-[[5-[4-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CCC1=C)C2=CC=C(C=C2)N

DOS

IR

Vibrations