Geometry & MOs

Info

ID:

193306

PubChem CID:

78374306

Reduced:

OSN4C5H8 (2)

Stoich.:

ABC4D5E8 (2)

Weight, g/mol:

628.213775

ΔHf, kcal/mol:

-2.26

Dipole, Da:

8.94

IP(EA), eV:

 -8.85(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(6-amino-1-benzyl-2,4-dioxo-1,3-diazinan-5-yl)-N-(2-methoxyethyl)-2-[[3-(2-methoxyethyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CN(C(=O)N(C1=O)CC=NNC(=S)N)CC=NNC(=S)N

DOS

IR

Vibrations