Geometry & MOs

Info

ID:	33760
PubChem CID:	7887969
Reduced:	FNO5C20H24 (1)
Stoich.:	ABC5D20E24 (1)
Weight, g/mol:	397.128255
ΔH_f, kcal/mol:	-224.81
Dipole, Da:	7.55
IP(EA), eV:	-8.77(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-6-methylphenyl)-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1[C@H](C)COC)C)C(=O)COC(=O)C2=C(C=C(C=C2)OC)F

DOS

IR

Vibrations