Geometry & MOs

Info

ID:	218871
PubChem CID:	85090090
Reduced:	N3O5C30H37 (1)
Stoich.:	A3B5C30D37 (1)
Weight, g/mol:	519.219178
ΔH_f, kcal/mol:	-82.82
Dipole, Da:	5.3
IP(EA), eV:	-9.21(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-4-methyl-N-[2-[(7-naphthalen-1-yl-5-oxo-1,4-thiazepan-6-yl)amino]-2-oxo-1-phenylethyl]pentanamide

Drug info:

PubChemData

Smile

CCCCCCC#CC1C(C(C(C(O1)COC(=O)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)N=[N+]=[N-]

DOS

IR

Vibrations