Geometry & MOs

Info

ID:	368959
PubChem CID:	127330978
Reduced:	SO2N3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	308.105545
ΔH_f, kcal/mol:	-83.76
Dipole, Da:	6.15
IP(EA), eV:	-8.54(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C(=O)NC2=NC3=C(S2)COCC3)C

DOS

IR

Vibrations