Geometry & MOs

Info

ID:	237998
PubChem CID:	92728760
Reduced:	S2N4O4C23H32 (1)
Stoich.:	A2B4C4D23E32 (1)
Weight, g/mol:	425.027076
ΔH_f, kcal/mol:	-150.35
Dipole, Da:	9.72
IP(EA), eV:	-8.95(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-6-chloro-2-ethyl-4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-2,3-dihydro-1,4-benzoxazine

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(S1)NC(=O)N2CCC[C@@H](C2)C(=O)NC3=C(C=CC=C3C)C

DOS

IR

Vibrations