Geometry & MOs

Info

ID:	190409
PubChem CID:	78000300
Reduced:	ClO2N3C25H34 (1)
Stoich.:	AB2C3D25E34 (1)
Weight, g/mol:	467.209007
ΔH_f, kcal/mol:	-58.41
Dipole, Da:	3.61
IP(EA), eV:	-9.04(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[2,2-dimethyl-6-[[N'-methyl-N-(methylideneamino)-N-phenylcarbamimidoyl]sulfonylmethyl]-1,3-dioxan-4-yl]acetate

Drug info:

PubChemData

Smile

COCC(C1CC=CC=C1)NC(=O)C2C3CCCCC(C3NN2)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations