Geometry & MOs

Info

ID:	142026
PubChem CID:	52969497
Reduced:	SN2O3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	370.135114
ΔH_f, kcal/mol:	-83.08
Dipole, Da:	3.75
IP(EA), eV:	-8.86(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-N-(3,4,7-trimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)chromene-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC(C2C(C1)N(C(=NC(=O)C3=CC4=CC=CC=C4OC3=O)S2)C)C

DOS

IR

Vibrations