Geometry & MOs

Info

ID:	214371
PubChem CID:	84981714
Reduced:	OSF2N3C16H23 (1)
Stoich.:	ABC2D3E16F23 (1)
Weight, g/mol:	366.172562
ΔH_f, kcal/mol:	-110.23
Dipole, Da:	4.33
IP(EA), eV:	-8.65(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylheptyl)-3-[[2-(4-nitrophenyl)acetyl]amino]thiourea

Drug info:

PubChemData

Smile

CCCCCC(C)CNC(=S)NNC(=O)C1=CC(=C(C=C1)F)F

DOS

IR

Vibrations