Geometry & MOs

Info

ID:	34499
PubChem CID:	7978571
Reduced:	SN2O2C19H22 (1)
Stoich.:	AB2C2D19E22 (1)
Weight, g/mol:	421.21322
ΔH_f, kcal/mol:	-66.53
Dipole, Da:	5.64
IP(EA), eV:	-9.04(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)CSCC(=O)NC2=CC=CC(=C2)C

DOS

IR

Vibrations