Geometry & MOs

Info

ID:	380293
PubChem CID:	134970702
Reduced:	NOC11H13 (2)
Stoich.:	ABC11D13 (2)
Weight, g/mol:	561.275333
ΔH_f, kcal/mol:	-24.03
Dipole, Da:	5.74
IP(EA), eV:	-9.02(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

benzyl 5-[cyclopenta-1,4-dien-1-yl-(3-ethyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(NC(=C1C)C=O)C(C2C=CC=C2)C3=C(C(=C(N3)C=O)C)CC

DOS

IR

Vibrations