Geometry & MOs

Info

ID:

179002

PubChem CID:

76417413

Reduced:

NPO9C34H58 (1)

Stoich.:

ABC9D34E58 (1)

Weight, g/mol:

506.213381

ΔHf, kcal/mol:

-520.45

Dipole, Da:

5.33

IP(EA), eV:

 -9.48(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-ethoxy-5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]-5-methyl-7-propyl-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazine-4-thione

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOP(=O)(CC(=O)CC1C(C(C(C(O1)CO)O)O)NC(=O)C)OCC2=CC=CC=C2

DOS

IR

Vibrations