Geometry & MOs

Info

ID:	243578
PubChem CID:	99226941
Reduced:	FOSN4C23H25 (1)
Stoich.:	ABCD4E23F25 (1)
Weight, g/mol:	432.135508
ΔH_f, kcal/mol:	-11.87
Dipole, Da:	6.34
IP(EA), eV:	-8.2(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-methylsulfonyl-5-nitrobenzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)N2CCN(CC2)C)NC(=O)C3=CN=C(S3)C4=CC=CC=C4F

DOS

IR

Vibrations