Geometry & MOs

Info

ID:	289448
PubChem CID:	104354328
Reduced:	BrNSC17H24 (1)
Stoich.:	ABCD17E24 (1)
Weight, g/mol:	308.192235
ΔH_f, kcal/mol:	-10.96
Dipole, Da:	3.52
IP(EA), eV:	-8.93(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-3-methyladamantane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(C23CC4CC(C2)CC(C4)(C3)C)N)Br

DOS

IR

Vibrations