Geometry & MOs

Info

ID:	61986
PubChem CID:	26716593
Reduced:	N3O4H27C28 (1)
Stoich.:	A3B4C27D28 (1)
Weight, g/mol:	432.171893
ΔH_f, kcal/mol:	-71.35
Dipole, Da:	7.73
IP(EA), eV:	-8.9(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[4-[(2,5-dimethylphenyl)sulfonylamino]butanoylamino]benzoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)N2[C@@H](CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations