Geometry & MOs

Info

ID:	236982
PubChem CID:	92716597
Reduced:	ClSO2N5C20H22 (1)
Stoich.:	ABC2D5E20F22 (1)
Weight, g/mol:	426.157957
ΔH_f, kcal/mol:	-19.45
Dipole, Da:	3.64
IP(EA), eV:	-9.1(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] 2-(1H-indol-3-yl)acetate

Drug info:

PubChemData

Smile

CCCC1=CC(=O)N2C(=N1)SC(=N2)N3CCC[C@@H]3C(=O)NCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations