Geometry & MOs

Info

ID:	217631
PubChem CID:	85088129
Reduced:	ClFSO2N4C16H16 (1)
Stoich.:	ABCD2E4F16G16 (1)
Weight, g/mol:	383.136887
ΔH_f, kcal/mol:	-26.71
Dipole, Da:	7.36
IP(EA), eV:	-8.89(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[3-[2-[3-(hydroxymethyl)-4-oxooxetan-2-yl]ethyl]phenyl]carbamoyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)CC(CF)OCN2C=NC3=C2N=CN=C3Cl

DOS

IR

Vibrations