Geometry & MOs

Info

ID:	194403
PubChem CID:	78529865
Reduced:	SCl2O2N4H14C17 (1)
Stoich.:	AB2C2D4E14F17 (1)
Weight, g/mol:	370.164105
ΔH_f, kcal/mol:	55.1
Dipole, Da:	2.55
IP(EA), eV:	-8.67(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC2=CC(=C(C=C2)Cl)Cl)C=NN3C=NNC3=S

DOS

IR

Vibrations