Geometry & MOs

Info

ID:	49239
PubChem CID:	11532231
Reduced:	FO4N5C22H22 (1)
Stoich.:	AB4C5D22E22 (1)
Weight, g/mol:	439.121335
ΔH_f, kcal/mol:	-143.2
Dipole, Da:	5.54
IP(EA), eV:	-9.33(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-10,10-dimethyl-3,4-dioxo-2,6,7,8-tetrahydropyrimido[2,1-c][1,4]oxazepine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=CC=C(C=C3)CN(CC#N)C(=O)N)F

DOS

IR

Vibrations