Geometry & MOs

Info

ID:	367296
PubChem CID:	127324075
Reduced:	SN3O4C14H25 (1)
Stoich.:	AB3C4D14E25 (1)
Weight, g/mol:	341.185175
ΔH_f, kcal/mol:	-200.35
Dipole, Da:	8.9
IP(EA), eV:	-9.71(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-chromen-3-yl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

Drug info:

PubChemData

Smile

CN(C1CCCC1)C(=O)NCCC(=O)NC2CCS(=O)(=O)C2

DOS

IR

Vibrations