Geometry & MOs

Info

ID:	146451
PubChem CID:	53691473
Reduced:	NOC19H25 (1)
Stoich.:	ABC19D25 (1)
Weight, g/mol:	557.219572
ΔH_f, kcal/mol:	-25.04
Dipole, Da:	1.66
IP(EA), eV:	-8.55(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-oxidopyridin-1-ium-4-yl)methyl N-[(2S)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCC1=NC=C(C=C1)CCC2=CC=C(C=C2)OCCC

DOS

IR

Vibrations