Geometry & MOs

Info

ID:

215276

PubChem CID:

85084465

Reduced:

S2N7O9C35H63 (1)

Stoich.:

A2B7C9D35E63 (1)

Weight, g/mol:

790.307007

ΔHf, kcal/mol:

-340.33

Dipole, Da:

92.32

IP(EA), eV:

 -7.3(-2.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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-phenyl-N-[2-(3,4,5-trihydroxyphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)NCCS(=O)(=O)[O-].C[S+](CCC(C(=O)O)N)CC1C(C(C(O1)N2CNC3=C(N=CN=C32)N)O)O

DOS

IR

Vibrations