Geometry & MOs

Info

ID:	45917
PubChem CID:	10519075
Reduced:	NO4H17C18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	311.148121
ΔH_f, kcal/mol:	-100.81
Dipole, Da:	2.97
IP(EA), eV:	-8.27(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C[C@H](CC2=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations