Geometry & MOs

Info

ID:	184440
PubChem CID:	77161242
Reduced:	NO5C21H25 (2)
Stoich.:	AB5C21D25 (2)
Weight, g/mol:	378.251858
ΔH_f, kcal/mol:	-315.2
Dipole, Da:	3.89
IP(EA), eV:	-8.76(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(1-methylpyrrol-2-yl)but-3-enyl] hexanoate

Drug info:

PubChemData

Smile

CC(CCC1=CC=C(O1)C(=O)CCCOC2=CC=CC=C2)(COC(=O)C=CC(=O)OCC(C)(CCC3=CC=C(O3)C(=O)CCCOC4=CC=CC=C4)N)N

DOS

IR

Vibrations