Geometry & MOs

Info

ID:	434525
PubChem CID:	135175133
Reduced:	O3C16H24 (1)
Stoich.:	A3B16C24 (1)
Weight, g/mol:	468.219512
ΔH_f, kcal/mol:	-127.01
Dipole, Da:	0.57
IP(EA), eV:	-8.74(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(3S)-5-[2-hydroxy-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]-2-(methylamino)propanamide

Drug info:

PubChemData

Smile

CCOC1=CC(=CC=C1)OC2CC(C2)OC(C)(C)C

DOS

IR

Vibrations