Geometry & MOs

Info

ID:	149214
PubChem CID:	53788886
Reduced:	NO2C7H13 (1)
Stoich.:	AB2C7D13 (1)
Weight, g/mol:	547.18894
ΔH_f, kcal/mol:	-106.69
Dipole, Da:	4.62
IP(EA), eV:	-9.57(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[(4-carbamimidoylanilino)methyl]-3-methyl-1-benzofuran-6-yl]-(1,2,3,4-tetrahydroquinolin-8-ylsulfonyl)amino]acetic acid

Drug info:

PubChemData

Smile

C[C@@H](CO)N1CCCC1=O

DOS

IR

Vibrations