Geometry & MOs

Info

ID:	214368
PubChem CID:	84981707
Reduced:	SN3O3C18H29 (1)
Stoich.:	AB3C3D18E29 (1)
Weight, g/mol:	375.161663
ΔH_f, kcal/mol:	-106.36
Dipole, Da:	11.4
IP(EA), eV:	-8.36(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylheptyl)-3-[(2-oxochromene-3-carbonyl)amino]thiourea

Drug info:

PubChemData

Smile

CCCCCC(C)CNC(=S)NNC(=O)C1=C(C=C(C=C1)OC)OC

DOS

IR

Vibrations