Geometry & MOs

Info

ID:

424682

PubChem CID:

135123601

Reduced:

S2O4N7C32H37 (1)

Stoich.:

A2B4C7D32E37 (1)

Weight, g/mol:

756.341752

ΔHf, kcal/mol:

-18.53

Dipole, Da:

9.11

IP(EA), eV:

 -8.74(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-ethoxyethoxy)pyrimidin-5-yl]-3-[3-[[(4R)-4-ethyl-1,1-dioxo-3,4-dihydropyrido[2,3-b][1,4,5]oxathiazepin-2-yl]methyl]-4-methylphenyl]-3-(1-ethyl-4-methylbenzotriazol-5-yl)-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CCC1CN(S(C2=C(O1)N=CC=C2)(O)O)CC3=C(C=CC(=C3)C(CC(=O)NC4=CSN=C4)C5=C(C6=C(C=C5)N(N=N6)CC)C)C

DOS

IR

Vibrations