Geometry & MOs

Info

ID:	351147
PubChem CID:	127279705
Reduced:	SN2O2C20H22 (1)
Stoich.:	AB2C2D20E22 (1)
Weight, g/mol:	379.135448
ΔH_f, kcal/mol:	-52.56
Dipole, Da:	3.59
IP(EA), eV:	-7.89(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)C(=C(N2)C)C)CNC(=O)C3=CC4=C(S3)CCOC4

DOS

IR

Vibrations