Geometry & MOs

Info

ID:	135034
PubChem CID:	51801812
Reduced:	N2O3C29H36 (1)
Stoich.:	A2B3C29D36 (1)
Weight, g/mol:	460.272593
ΔH_f, kcal/mol:	-98.56
Dipole, Da:	2.86
IP(EA), eV:	-8.95(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1)C(=O)N(CC2=CC=C(O2)C)[C@@H](C3=CC=C(C=C3)C)C(=O)NC(C)(C)C

DOS

IR

Vibrations