Geometry & MOs

Info

ID:	138883
PubChem CID:	52438849
Reduced:	O3N4C18H27 (1)
Stoich.:	A3B4C18D27 (1)
Weight, g/mol:	376.182064
ΔH_f, kcal/mol:	-78.34
Dipole, Da:	6.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.776790
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(1-adamantyl)ethyl]-3-(methanesulfonamido)benzamide

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC(=C1)OC)OC)NC(=O)NCCCC[N+]2=CNC=C2

DOS

IR

Vibrations