Geometry & MOs

Info

ID:	416622
PubChem CID:	135089842
Reduced:	S2N3O4C12H19 (1)
Stoich.:	A2B3C4D12E19 (1)
Weight, g/mol:	395.184506
ΔH_f, kcal/mol:	-138.35
Dipole, Da:	5.67
IP(EA), eV:	-9.82(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(morpholine-4-carbonyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations