Geometry & MOs

Info

ID:	233665
PubChem CID:	91148445
Reduced:	FO4N5C24H26 (1)
Stoich.:	AB4C5D24E26 (1)
Weight, g/mol:	543.15947
ΔH_f, kcal/mol:	-105.78
Dipole, Da:	2.31
IP(EA), eV:	-8.87(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-[2-(4-carbamimidoylphenyl)ethoxy]-5-methylanilino]-3-(2-chlorophenyl)sulfonylpropanoate

Drug info:

PubChemData

Smile

CC1=C2C(=NC(=N1)N)CC(CC2=NOC[C@H](CO)O)C3=C(C=C(C=C3)F)C4=NC(=CC=C4)OC

DOS

IR

Vibrations