Geometry & MOs

Info

ID:	176965
PubChem CID:	76118533
Reduced:	SN5O9C37H39 (1)
Stoich.:	AB5C9D37E39 (1)
Weight, g/mol:	504.226037
ΔH_f, kcal/mol:	-248.97
Dipole, Da:	8.7
IP(EA), eV:	-9.24(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-formyloxy-3-[(4-hydroxybenzoyl)amino]-4-naphthalen-2-ylazepane-1-carboxylate

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3C(C(C3=O)CCCN=C(NC(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)C(=O)OC

DOS

IR

Vibrations