Geometry & MOs

Info

ID:	135032
PubChem CID:	51801067
Reduced:	N2O4C27H40 (1)
Stoich.:	A2B4C27D40 (1)
Weight, g/mol:	460.272593
ΔH_f, kcal/mol:	-177.81
Dipole, Da:	2.14
IP(EA), eV:	-8.74(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1S)-2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-[(5-methylfuran-2-yl)methyl]-2-phenylbutanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](CC)C(=O)N(CC1=CC=C(O1)C)[C@@H](C2=CC(=CC=C2)OC)C(=O)NC(C)(C)C

DOS

IR

Vibrations