Geometry & MOs

Info

ID:	160512
PubChem CID:	57309860
Reduced:	N3O4C28H31 (1)
Stoich.:	A3B4C28D31 (1)
Weight, g/mol:	402.052172
ΔH_f, kcal/mol:	-103.95
Dipole, Da:	4.66
IP(EA), eV:	-9.23(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hydroxy-6-[(4-methyl-2-nitrobenzoyl)amino]naphthalene-2-sulfonic acid

Drug info:

PubChemData

Smile

COC(=O)C[C@@H]1C[C@H](N(C1=O)CCCC2=CC=CC=C2)CCNC(=O)C=CC3=CC=C(C=C3)C#N

DOS

IR

Vibrations