Geometry & MOs

Info

ID:	37575
PubChem CID:	8022392
Reduced:	OSN3C15H27 (1)
Stoich.:	ABC3D15E27 (1)
Weight, g/mol:	351.198048
ΔH_f, kcal/mol:	-60.75
Dipole, Da:	7.57
IP(EA), eV:	-8.52(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(1-adamantyl)acetyl]amino]-3-[[(2S)-oxolan-2-yl]methyl]thiourea

Drug info:

PubChemData

Smile

C1CCC(CC1)CCC(=O)NNC(=S)NC2CCCC2

DOS

IR

Vibrations