Geometry & MOs

Info

ID:

424801

PubChem CID:

135123971

Reduced:

O3N5C35H39 (1)

Stoich.:

A3B5C35D39 (1)

Weight, g/mol:

672.26648

ΔHf, kcal/mol:

-3.0

Dipole, Da:

8.88

IP(EA), eV:

 -8.62(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[[(4S)-4-ethyl-1,1-dioxo-4,5-dihydro-3H-pyrido[2,3-f]thiazepin-2-yl]methyl]-5-methyl-1,3-thiazol-2-yl]-3-(1-ethyl-4-methylbenzotriazol-5-yl)-2,2-dimethyl-N-pyridin-3-ylpropanamide

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)C(C3=CC(=C(C=C3)C)COCC4=CC=C(C=C4)OC)C(C)(C)C(=O)NC5=CN=CC=C5)C)N=N1

DOS

IR

Vibrations