Geometry & MOs

Info

ID:	257211
PubChem CID:	103144401
Reduced:	ClON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	318.086056
ΔH_f, kcal/mol:	-29.01
Dipole, Da:	4.15
IP(EA), eV:	-7.96(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2,5-dimethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Cl)C(=O)NC2=CC(=C(C=C2C)N)C

DOS

IR

Vibrations