Geometry & MOs

Info

ID:	135246
PubChem CID:	51839097
Reduced:	N2O5C29H34 (1)
Stoich.:	A2B5C29D34 (1)
Weight, g/mol:	382.225643
ΔH_f, kcal/mol:	-152.12
Dipole, Da:	6.97
IP(EA), eV:	-8.63(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(butylamino)-2-oxo-1-phenylethyl]-3-methyl-N-[(5-methylfuran-2-yl)methyl]but-2-enamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C1=C(C=C(C=C1)C)C)N(CC2=CC=C(O2)C)C(=O)CC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations