Geometry & MOs

Info

ID:	422509
PubChem CID:	135117956
Reduced:	FN4O4C17H17 (1)
Stoich.:	AB4C4D17E17 (1)
Weight, g/mol:	362.141262
ΔH_f, kcal/mol:	-54.96
Dipole, Da:	4.09
IP(EA), eV:	-9.0(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl]-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)C1=NOC(=C1C(=O)NCC2=NOC=C2)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations