Geometry & MOs

Info

ID:	135088
PubChem CID:	51811848
Reduced:	SN2O4C23H36 (1)
Stoich.:	AB2C4D23E36 (1)
Weight, g/mol:	408.277678
ΔH_f, kcal/mol:	-180.1
Dipole, Da:	8.04
IP(EA), eV:	-9.16(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(1R)-2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-3-phenyl-N-propylbutanamide

Drug info:

PubChemData

Smile

CCCN([C@H](C1=CC2=C(C=C1)OCO2)C(=O)NC(C)(C)CC(C)(C)C)C(=O)CCS

DOS

IR

Vibrations