Geometry & MOs

Info

ID:	149554
PubChem CID:	53789227
Reduced:	N3O7C34H37 (1)
Stoich.:	A3B7C34D37 (1)
Weight, g/mol:	436.074737
ΔH_f, kcal/mol:	-207.76
Dipole, Da:	4.06
IP(EA), eV:	-8.42(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 2-acetyloxy-5-[2-(4-chlorosulfonylphenyl)ethenyl]benzoate

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)C(C(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O)O

DOS

IR

Vibrations