Geometry & MOs

Info

ID:	177030
PubChem CID:	76126223
Reduced:	SO2N10C11H18 (1)
Stoich.:	AB2C10D11E18 (1)
Weight, g/mol:	446.184172
ΔH_f, kcal/mol:	84.74
Dipole, Da:	2.58
IP(EA), eV:	-8.9(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(4-hydroxybenzoyl)amino]azepan-1-yl] 2-phenoxybenzoate

Drug info:

PubChemData

Smile

CC1(C(N2C(S1)C(C2=O)NC(=O)CN3N=CN=N3)C4NNNN4)C

DOS

IR

Vibrations