Geometry & MOs

Info

ID:	177049
PubChem CID:	76130312
Reduced:	N3O6C32H43 (1)
Stoich.:	A3B6C32D43 (1)
Weight, g/mol:	526.140987
ΔH_f, kcal/mol:	-275.34
Dipole, Da:	5.07
IP(EA), eV:	-9.83(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(4-hydroxybenzoyl)amino]azepan-4-yl] 4-(2-hydroxyphenoxy)sulfonylbenzoate

Drug info:

PubChemData

Smile

CCC(NC(=O)C1C(CCC1(C)C)(C)C)NC(=O)C(CC2=CC=CC=C2)(CC(=O)O)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations