Geometry & MOs

Info

ID:	49659
PubChem CID:	11533486
Reduced:	N3O3C28H41 (1)
Stoich.:	A3B3C28D41 (1)
Weight, g/mol:	503.076324
ΔH_f, kcal/mol:	-139.25
Dipole, Da:	8.02
IP(EA), eV:	-8.2(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-2-[(3-oxo-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazole-5-carbonyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CCCCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=C(C=C(C=C2)CCC(=O)O)NCCCC

DOS

IR

Vibrations