Geometry & MOs

Info

ID:	243753
PubChem CID:	99234615
Reduced:	N3O4H25C26 (1)
Stoich.:	A3B4C25D26 (1)
Weight, g/mol:	435.162806
ΔH_f, kcal/mol:	-99.98
Dipole, Da:	2.65
IP(EA), eV:	-9.16(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-2-(methanesulfonamido)-5-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C(=O)N4CCOCC4

DOS

IR

Vibrations