Geometry & MOs

Info

ID:	415203
PubChem CID:	135088195
Reduced:	NSO3C7H11 (2)
Stoich.:	ABC3D7E11 (2)
Weight, g/mol:	403.200825
ΔH_f, kcal/mol:	-221.8
Dipole, Da:	7.51
IP(EA), eV:	-9.38(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrrolidin-1-yl-[6-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]pyrazin-2-yl]methanone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NS(=O)(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations