Geometry & MOs

Info

ID:	64907
PubChem CID:	29204178
Reduced:	ClSN3O4C15H16 (1)
Stoich.:	ABC3D4E15F16 (1)
Weight, g/mol:	403.225977
ΔH_f, kcal/mol:	-77.07
Dipole, Da:	3.85
IP(EA), eV:	-9.87(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(pyridin-2-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CN(OC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NCC2=CC=CC=N2)Cl

DOS

IR

Vibrations