Geometry & MOs

Info

ID:	320672
PubChem CID:	126662436
Reduced:	BrNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	577.150128
ΔH_f, kcal/mol:	-33.53
Dipole, Da:	3.47
IP(EA), eV:	-8.53(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-6-[(E)-2-(2-chloro-6-fluorophenyl)prop-1-enyl]-4-(4-fluoro-3-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-2-methylbutan-2-ol

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](CC2=C(N1)C=C(C=C2)Br)O

DOS

IR

Vibrations