Geometry & MOs

Info

ID:	122739
PubChem CID:	50819942
Reduced:	ClF2O2N4C21H23 (1)
Stoich.:	AB2C2D4E21F23 (1)
Weight, g/mol:	423.116126
ΔH_f, kcal/mol:	-116.81
Dipole, Da:	3.32
IP(EA), eV:	-8.82(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-(3-chloro-4-methoxyphenyl)-N'-(oxolan-2-ylmethyl)carbamimidoyl]-3,4-difluorobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=NCCN2CCOCC2)NC(=O)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations