Geometry & MOs

Info

ID:	132965
PubChem CID:	51454417
Reduced:	N2O3C29H30 (1)
Stoich.:	A2B3C29D30 (1)
Weight, g/mol:	436.06338
ΔH_f, kcal/mol:	-43.91
Dipole, Da:	1.9
IP(EA), eV:	-9.01(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=O)[C@@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)C(C)(C)C)C

DOS

IR

Vibrations