Geometry & MOs

Info

ID:	353354
PubChem CID:	127284683
Reduced:	O2S2N3C16H19 (1)
Stoich.:	A2B2C3D16E19 (1)
Weight, g/mol:	396.187149
ΔH_f, kcal/mol:	-36.24
Dipole, Da:	0.46
IP(EA), eV:	-9.43(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNC(=O)C2CCCCN2C(=O)C3=CC=CS3

DOS

IR

Vibrations