Geometry & MOs

Info

ID:	383502
PubChem CID:	134975258
Reduced:	NO8C19H23 (1)
Stoich.:	AB8C19D23 (1)
Weight, g/mol:	486.211449
ΔH_f, kcal/mol:	-294.61
Dipole, Da:	4.15
IP(EA), eV:	-10.02(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(3-methoxy-3-oxopropyl)-3-methyl-5-[[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]carbamoyl]-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C2=C(C(=C(N2)C(=O)O)COCCO)COCCO

DOS

IR

Vibrations