Geometry & MOs

Info

ID:	366133
PubChem CID:	127319513
Reduced:	SN3O3C19H29 (1)
Stoich.:	AB3C3D19E29 (1)
Weight, g/mol:	397.203528
ΔH_f, kcal/mol:	-127.2
Dipole, Da:	3.52
IP(EA), eV:	-8.25(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-adamantylcarbamoylamino)-N-(1,1-dioxothian-3-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations