Geometry & MOs

Info

ID:	418844
PubChem CID:	135106949
Reduced:	SN3O3C18H23 (1)
Stoich.:	AB3C3D18E23 (1)
Weight, g/mol:	373.146013
ΔH_f, kcal/mol:	-74.45
Dipole, Da:	5.55
IP(EA), eV:	-9.37(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-1-oxo-1-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]propan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)N[C@H]2COC[C@H]2CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations