Geometry & MOs

Info

ID:	417033
PubChem CID:	135091142
Reduced:	NSO3C20H23 (1)
Stoich.:	ABC3D20E23 (1)
Weight, g/mol:	335.144533
ΔH_f, kcal/mol:	-88.36
Dipole, Da:	6.49
IP(EA), eV:	-8.96(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(difluoromethyl)-5-methyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC(=O)N2CCC3(CC2)C4=C(CCO3)SC=C4

DOS

IR

Vibrations