Geometry & MOs

Info

ID:

180240

PubChem CID:

76602990

Reduced:

ClO4N5C28H30 (1)

Stoich.:

AB4C5D28E30 (1)

Weight, g/mol:

569.149968

ΔHf, kcal/mol:

-35.86

Dipole, Da:

4.04

IP(EA), eV:

 -9.0(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[2-[8-chloro-6-(2,3-dimethoxyphenyl)-4,6-dihydropyrrolo[1,2-a][4,1]benzoxazepin-4-yl]ethyl]tetrazol-5-yl]sulfanyl-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CC1=NN(N=N1)CCC2CC(C3=C(C=CC(=C3)Cl)N4C2=CC=C4)C5=C(C(=CC=C5)OC)OC

DOS

IR

Vibrations