Geometry & MOs

Info

ID:	351146
PubChem CID:	127279704
Reduced:	N2O2S2C17H20 (1)
Stoich.:	A2B2C2D17E20 (1)
Weight, g/mol:	354.140199
ΔH_f, kcal/mol:	-41.36
Dipole, Da:	4.14
IP(EA), eV:	-8.78(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

Drug info:

PubChemData

Smile

C1CCCC2=C(CC1)N=C(S2)NC(=O)C3=CC4=C(S3)CCOC4

DOS

IR

Vibrations