Geometry & MOs

Info

ID:	135136
PubChem CID:	51820395
Reduced:	SN2O4C24H40 (1)
Stoich.:	AB2C4D24E40 (1)
Weight, g/mol:	432.335193
ΔH_f, kcal/mol:	-214.85
Dipole, Da:	8.64
IP(EA), eV:	-9.59(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CCCCC[C@@H](C(=O)NCS(=O)(=O)C1=CC=C(C=C1)C)N(C(=O)CC(C)C)C(C)(C)C

DOS

IR

Vibrations