Geometry & MOs

Info

ID:	416573
PubChem CID:	135089698
Reduced:	SN4O4C16H22 (1)
Stoich.:	AB4C4D16E22 (1)
Weight, g/mol:	376.158706
ΔH_f, kcal/mol:	-128.86
Dipole, Da:	2.61
IP(EA), eV:	-9.36(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C=C(C=C2)C(=O)N[C@@H]3COC[C@H]3CS(=O)(=O)N(C)C

DOS

IR

Vibrations