Geometry & MOs

Info

ID:

191007

PubChem CID:

78092891

Reduced:

Si3O15N16C126H180 (1)

Stoich.:

A3B15C16D126E180 (1)

Weight, g/mol:

402.107185

ΔHf, kcal/mol:

-686.41

Dipole, Da:

11.49

IP(EA), eV:

 -8.66(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethylsulfanyl-4-(1-naphthalen-2-yl-2-nitroethyl)-4-propan-2-yl-1,3-thiazol-5-one

Drug info:

PubChemData

Smile

CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCCCCCCCCCC(=O)NC(CCCC(=O)NCC3CCN4CCC(N=C4N3)CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)(CCCC(=O)NCC7CCN8CCC(N=C8N7)CO[Si](C9=CC=CC=C9)(C1=CC=CC=C1)C(C)(C)C)CCC(=O)NCC1CCN2CCC(N=C2N1)CO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)C)OC)OC(=O)N)C)C)O)OC

DOS

IR

Vibrations