Geometry & MOs

Info

ID:	42992
PubChem CID:	10317629
Reduced:	NOC5H5 (4)
Stoich.:	ABC5D5 (4)
Weight, g/mol:	380.024912
ΔH_f, kcal/mol:	-48.92
Dipole, Da:	4.23
IP(EA), eV:	-8.86(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-acetamido-1,3-thiazol-5-yl)sulfonylamino]-3H-indole-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)OC)[C@H](C(=O)N2[C@H](COC2=O)C3=CC=CC=C3)N=[N+]=[N-]

DOS

IR

Vibrations