Geometry & MOs

Info

ID:	156251
PubChem CID:	56369823
Reduced:	N3O4H23C27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	427.131425
ΔH_f, kcal/mol:	-70.49
Dipole, Da:	5.03
IP(EA), eV:	-8.19(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-acetylphenyl)sulfonylamino]-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

C1CN(C2=C1C=C(C=C2)NC(=O)CCNC(=O)C3=CC4=CC=CC=C4C=C3)C(=O)C5=COC=C5

DOS

IR

Vibrations