Geometry & MOs

Info

ID:	33801
PubChem CID:	7888175
Reduced:	N2O5C17H22 (1)
Stoich.:	A2B5C17D22 (1)
Weight, g/mol:	407.03291
ΔH_f, kcal/mol:	-195.42
Dipole, Da:	4.45
IP(EA), eV:	-9.71(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-fluorophenyl)-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

COCCNC(=O)COC(=O)C1=CC=C(C=C1)CN2CCCC2=O

DOS

IR

Vibrations