Geometry & MOs

Info

ID:	315382
PubChem CID:	126625781
Reduced:	N2O5C21H28 (1)
Stoich.:	A2B5C21D28 (1)
Weight, g/mol:	499.196187
ΔH_f, kcal/mol:	-213.98
Dipole, Da:	3.76
IP(EA), eV:	-8.87(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-[1,3-diamino-3-(3-chloro-5-fluorophenyl)propyl]-N'-(3-propan-2-yloxypropyl)carbamimidoyl]-3,4-difluorobenzamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)NC(=O)C2=C([C@]3(CO[C@@H](N3C2=O)C(C)(C)C)C)O

DOS

IR

Vibrations