Geometry & MOs

Info

ID:	135239
PubChem CID:	51838630
Reduced:	SN2O4C26H38 (1)
Stoich.:	AB2C4D26E38 (1)
Weight, g/mol:	474.255229
ΔH_f, kcal/mol:	-166.58
Dipole, Da:	2.58
IP(EA), eV:	-8.84(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-methoxyphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-3-sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN([C@@H](C2=CC=C(C=C2)OC)C(=O)NC(C)(C)CC(C)(C)C)C(=O)CCS

DOS

IR

Vibrations