Geometry & MOs

Info

ID:	196550
PubChem CID:	78846800
Reduced:	SN3O3C22H33 (1)
Stoich.:	AB3C3D22E33 (1)
Weight, g/mol:	398.181727
ΔH_f, kcal/mol:	-109.36
Dipole, Da:	3.2
IP(EA), eV:	-8.95(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-methyl-1-oxo-1-[3-[3-(trifluoromethyl)phenyl]prop-2-ynylamino]butan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)NC3CCN(CC3)C4CC4

DOS

IR

Vibrations