Geometry & MOs

Info

ID:

162259

PubChem CID:

57394091

Reduced:

O17N24C91H122 (1)

Stoich.:

A17B24C91D122 (1)

Weight, g/mol:

537.178752

ΔHf, kcal/mol:

-445.32

Dipole, Da:

4.68

IP(EA), eV:

 -8.86(-1.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-methoxy-N-[7-(3-methoxyphenoxy)-8-methyl-2-oxochromen-3-yl]-3-(3-methoxyphenyl)benzamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC2=CC3=CC=CC=C3C=C2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)NCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)[C@H](CCCCNC(=O)CCCC#C)N

DOS

IR

Vibrations