Geometry & MOs

Info

ID:	178048
PubChem CID:	76269511
Reduced:	N3O5C24H33 (1)
Stoich.:	A3B5C24D33 (1)
Weight, g/mol:	473.150823
ΔH_f, kcal/mol:	-206.11
Dipole, Da:	9.36
IP(EA), eV:	-9.36(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC2(CCCCC2)C#N

DOS

IR

Vibrations