Geometry & MOs

Info

ID:	174351
PubChem CID:	75757188
Reduced:	N3O7C28H31 (1)
Stoich.:	A3B7C28D31 (1)
Weight, g/mol:	494.192725
ΔH_f, kcal/mol:	-163.33
Dipole, Da:	6.79
IP(EA), eV:	-8.89(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[[2-(butylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-[(5-methylfuran-2-yl)methyl]carbamoyl]-4-nitrophenolate

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN(C(C2=CC(=CC=C2)OC)C(=O)NC3CCCCC3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])O

DOS

IR

Vibrations