Geometry & MOs

Info

ID:	244489
PubChem CID:	99355726
Reduced:	SN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	372.216141
ΔH_f, kcal/mol:	-91.22
Dipole, Da:	2.59
IP(EA), eV:	-9.06(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-adamantylcarbamoylamino)-N-(3-methoxypyridin-2-yl)propanamide

Drug info:

PubChemData

Smile

COC1=C(N=CC=C1)NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

DOS

IR

Vibrations