Geometry & MOs

Info

ID:	135220
PubChem CID:	51835714
Reduced:	N2O4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	518.239242
ΔH_f, kcal/mol:	-129.47
Dipole, Da:	6.22
IP(EA), eV:	-9.16(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methylfuran-2-yl)methyl]-N-[(1S)-2-oxo-1-[4-(trifluoromethyl)phenyl]-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](/C=C/C)N(CC1=CC=C(O1)C)C(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations