Geometry & MOs

Info

ID:	402078
PubChem CID:	135054192
Reduced:	BrNO5H14C18 (1)
Stoich.:	ABC5D14E18 (1)
Weight, g/mol:	358.072035
ΔH_f, kcal/mol:	-53.56
Dipole, Da:	4.61
IP(EA), eV:	-8.97(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3R)-3-(3-chlorophenyl)-4-nitro-2-phenyl-1,3-dihydropyrrole-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OC(=C([C@@H]2C[N+](=O)[O-])C=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations