Geometry & MOs

Info

ID:	346271
PubChem CID:	127270775
Reduced:	O2S2N5C17H27 (1)
Stoich.:	A2B2C5D17E27 (1)
Weight, g/mol:	390.263091
ΔH_f, kcal/mol:	-69.27
Dipole, Da:	7.24
IP(EA), eV:	-8.74(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-acetylpiperidin-4-yl)-3-(1-adamantylcarbamoylamino)propanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)NC(=O)CSC2=NN=C(S2)NC3CCCCC3

DOS

IR

Vibrations