Geometry & MOs

Info

ID:	230511
PubChem CID:	87571159
Reduced:	FCl2N2S2O6H17C22 (1)
Stoich.:	AB2C2D2E6F17G22 (1)
Weight, g/mol:	300.168522
ΔH_f, kcal/mol:	-192.91
Dipole, Da:	8.54
IP(EA), eV:	-9.17(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-carbamoyloxyethyl 2-methylprop-2-enoate;1-isocyanatohexane

Drug info:

PubChemData

Smile

C1CC1S(=O)(=O)C2=CC=C(C=C2)C(C(=O)NC3=NC(=C(S3)Cl)CC(=O)O)OC4=C(C=C(C=C4)Cl)F

DOS

IR

Vibrations