Geometry & MOs

Info

ID:	135141
PubChem CID:	51822839
Reduced:	SN2O4C29H42 (1)
Stoich.:	AB2C4D29E42 (1)
Weight, g/mol:	451.319878
ΔH_f, kcal/mol:	-180.05
Dipole, Da:	5.34
IP(EA), eV:	-9.04(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-tert-butyl-N-[(1S)-2-(butylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-2-phenylbutanamide

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1)C(=O)N([C@@H](C(CC)CC)C(=O)NCS(=O)(=O)C2=CC=C(C=C2)C)C(C)(C)C

DOS

IR

Vibrations