Geometry & MOs

Info

ID:	235852
PubChem CID:	92710871
Reduced:	SN4O4C22H30 (1)
Stoich.:	AB4C4D22E30 (1)
Weight, g/mol:	493.180205
ΔH_f, kcal/mol:	-143.03
Dipole, Da:	9.15
IP(EA), eV:	-9.03(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[(2R)-6-chloro-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]-1,2,5-trimethylpyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCC(=O)N[C@H]2CCCC3=CC=CC=C23)C)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations