Geometry & MOs

Info

ID:

61588

PubChem CID:

26710795

Reduced:

N3O3S3H17C18 (1)

Stoich.:

A3B3C3D17E18 (1)

Weight, g/mol:

455.043205

ΔHf, kcal/mol:

22.98

Dipole, Da:

1.65

IP(EA), eV:

 -9.0(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC=C(S2)CNC(=O)[C@@H](C)SC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations