Geometry & MOs

Info

ID:	298711
PubChem CID:	117654269
Reduced:	O5C21H24 (1)
Stoich.:	A5B21C24 (1)
Weight, g/mol:	478.192629
ΔH_f, kcal/mol:	-149.67
Dipole, Da:	4.61
IP(EA), eV:	-9.08(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[2-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-1-oxopropan-2-yl]-3-(3-methylthiophen-2-yl)benzene-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C(C)OC1(COC1)C2=CC=C(C=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations