Geometry & MOs

Info

ID:	33505
PubChem CID:	7886774
Reduced:	NO6H19C21 (1)
Stoich.:	AB6C19D21 (1)
Weight, g/mol:	376.051562
ΔH_f, kcal/mol:	-128.6
Dipole, Da:	8.93
IP(EA), eV:	-8.8(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(3,4-difluorophenyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCC(=O)C3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations