Geometry & MOs

Info

ID:	24102
PubChem CID:	607854
Reduced:	NO2C7H7 (3)
Stoich.:	AB2C7D7 (3)
Weight, g/mol:	411.143035
ΔH_f, kcal/mol:	-134.79
Dipole, Da:	6.43
IP(EA), eV:	-9.63(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,2-dimethyl-5-[(4-nitrophenyl)carbamoylamino]-3-phenyl-3H-furan-4-carboxylate

Drug info:

PubChemData

Smile

CC1(C(C(=C(O1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)C3=CC=CC=C3)C

DOS

IR

Vibrations