Geometry & MOs

Info

ID:

188192

PubChem CID:

77679987

Reduced:

ClN3O7C29H38 (1)

Stoich.:

AB3C7D29E38 (1)

Weight, g/mol:

752.327742

ΔHf, kcal/mol:

-322.7

Dipole, Da:

3.49

IP(EA), eV:

 -9.12(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1lambda6,2,5-benzothiadiazepin-8-yl)oxy]acetyl]amino]-2-phenylacetyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=CC=CC=C1NC(=O)C(CCCNC(=O)OCC2=CC=CC=C2Cl)NC(=O)OC(C)(C)C

DOS

IR

Vibrations