Geometry & MOs

Info

ID:	416090
PubChem CID:	135089098
Reduced:	SN2O4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	361.247775
ΔH_f, kcal/mol:	-167.49
Dipole, Da:	2.41
IP(EA), eV:	-9.62(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]pyrimidin-4-yl]piperidin-4-ol

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)N)O

DOS

IR

Vibrations