Geometry & MOs

Info

ID:	237561
PubChem CID:	92719756
Reduced:	SN2O2C12H12 (2)
Stoich.:	AB2C2D12E12 (2)
Weight, g/mol:	481.090784
ΔH_f, kcal/mol:	-85.61
Dipole, Da:	2.95
IP(EA), eV:	-8.61(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(1R)-1-(3,4-difluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]sulfonyl]-3H-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C4=CC=CC=C4S[C@H](C3=O)C(=O)N5CCCC5

DOS

IR

Vibrations