Geometry & MOs

Info

ID:	325506
PubChem CID:	126683687
Reduced:	SO3N5H21C26 (1)
Stoich.:	AB3C5D21E26 (1)
Weight, g/mol:	493.261694
ΔH_f, kcal/mol:	72.76
Dipole, Da:	2.7
IP(EA), eV:	-8.26(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-5-[(2S,4S)-2-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]propyl]-3,4-dihydro-2H-chromen-4-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1=NC2=NC(=CN2N=C1C)C3=CC4=C(O3)C=C(C=C4OCC5=CSC(=N5)C6=CC=CC=C6)OC

DOS

IR

Vibrations