Geometry & MOs

Info

ID:	195725
PubChem CID:	78728372
Reduced:	ClNO6C17H24 (1)
Stoich.:	ABC6D17E24 (1)
Weight, g/mol:	412.211055
ΔH_f, kcal/mol:	-252.25
Dipole, Da:	5.67
IP(EA), eV:	-8.93(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-cyano-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)NCCOC)OC

DOS

IR

Vibrations