Geometry & MOs

Info

ID:	68996
PubChem CID:	46515044
Reduced:	SO3N4C24H24 (1)
Stoich.:	AB3C4D24E24 (1)
Weight, g/mol:	453.226371
ΔH_f, kcal/mol:	-29.89
Dipole, Da:	4.09
IP(EA), eV:	-8.94(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-4-pyrrolidin-1-ylbenzoate

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N1CCCNC(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4

DOS

IR

Vibrations