Geometry & MOs

Info

ID:	135025
PubChem CID:	51800051
Reduced:	N2O4C27H28 (1)
Stoich.:	A2B4C27D28 (1)
Weight, g/mol:	422.220557
ΔH_f, kcal/mol:	-42.61
Dipole, Da:	4.25
IP(EA), eV:	-8.64(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-butyl-2-(furan-2-yl)-2-[(5-methylfuran-2-yl)methyl-[2-(2-methylphenyl)acetyl]amino]acetamide

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2[C@@H]3C/C(=N/O)/[C@@H]([C@H](N3)C4=CC=CC=C4OCCO1)C5=CC=CC=C5

DOS

IR

Vibrations