Geometry & MOs

Info

ID:	33553
PubChem CID:	7886956
Reduced:	FOS2N3H18C19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	403.057982
ΔH_f, kcal/mol:	-11.98
Dipole, Da:	3.58
IP(EA), eV:	-8.59(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-N-methyl-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)F)C(=O)CSC2=NC=NC3=C2C4=C(S3)CCC4

DOS

IR

Vibrations