Geometry & MOs

Info

ID:	135371
PubChem CID:	51862264
Reduced:	FSN2O5C19H25 (1)
Stoich.:	ABC2D5E19F25 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-252.54
Dipole, Da:	2.26
IP(EA), eV:	-9.43(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-oxo-1,4-benzoxazin-4-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations