Geometry & MOs

Info

ID:	366119
PubChem CID:	127319480
Reduced:	N2S2O5C14H20 (1)
Stoich.:	A2B2C5D14E20 (1)
Weight, g/mol:	382.192629
ΔH_f, kcal/mol:	-196.22
Dipole, Da:	5.68
IP(EA), eV:	-10.04(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(1,1-dioxothian-3-yl)amino]-3-oxopropyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)CCNS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations