Geometry & MOs

Info

ID:	185843
PubChem CID:	77358273
Reduced:	O5N6C14H22 (1)
Stoich.:	A5B6C14D22 (1)
Weight, g/mol:	529.199505
ΔH_f, kcal/mol:	-152.75
Dipole, Da:	8.47
IP(EA), eV:	-9.78(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrrolidin-1-yl]-4-oxobutyl]-3-(methanesulfonamido)benzoic acid

Drug info:

PubChemData

Smile

CC(C(=O)OCC(CCN1C=NC2C1=NC(=NC2=O)N)(CO)CO)N

DOS

IR

Vibrations