Geometry & MOs

Info

ID:	136315
PubChem CID:	52018492
Reduced:	NO3H12C14 (2)
Stoich.:	AB3C12D14 (2)
Weight, g/mol:	453.080356
ΔH_f, kcal/mol:	-132.73
Dipole, Da:	7.62
IP(EA), eV:	-8.74(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[4-[(1-benzyl-5-methyltriazole-4-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)O[C@@](C(=O)N2C)(C)C(=O)NC3=C(OC4=CC=CC=C43)C(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations