Geometry & MOs

Info

ID:

186613

PubChem CID:

77453888

Reduced:

O3N8C25H28 (1)

Stoich.:

A3B8C25D28 (1)

Weight, g/mol:

625.32642

ΔHf, kcal/mol:

0.94

Dipole, Da:

3.96

IP(EA), eV:

 -8.46(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[14-methyl-9,15-dioxo-10-[(2-pyrrolidin-1-ylacetyl)amino]-2-oxa-8,14-diazatricyclo[14.3.1.04,8]icosa-1(19),16(20),17-trien-6-yl]-2-naphthalen-2-ylacetamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC(CC1)C2=NC3=C(C=NN3C(=C2C(=O)C)N)C4=CN=C(C=C4)C5=NN(C=C5)C)O

DOS

IR

Vibrations