Geometry & MOs

Info

ID:	44610
PubChem CID:	10504359
Reduced:	SN3O8C20H23 (1)
Stoich.:	AB3C8D20E23 (1)
Weight, g/mol:	465.172228
ΔH_f, kcal/mol:	-234.28
Dipole, Da:	16.93
IP(EA), eV:	-9.76(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[4-(benzenesulfonamido)phenyl]-3-(3-carbamimidoylphenyl)pentanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC(=CC=C1)S(=O)(=O)N(CC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O

DOS

IR

Vibrations