Geometry & MOs

Info

ID:

170802

PubChem CID:

75281688

Reduced:

O3N4H14C15 (1)

Stoich.:

A3B4C14D15 (1)

Weight, g/mol:

846.22232

ΔHf, kcal/mol:

-35.14

Dipole, Da:

3.87

IP(EA), eV:

 -8.65(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-7-(5-methyl-1,2-oxazole-4-carbonyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl]amino]-3-[4-(2,3-dimethylpyridin-4-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CCN1C(=O)CC2=C1C=CC(=C2)NC(=O)C3C=CC(=O)N=N3

DOS

IR

Vibrations