Geometry & MOs

Info

ID:	49701
PubChem CID:	11533594
Reduced:	ClOSN7C25H30 (1)
Stoich.:	ABCD7E25F30 (1)
Weight, g/mol:	511.10192
ΔH_f, kcal/mol:	81.17
Dipole, Da:	2.74
IP(EA), eV:	-8.78(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromophenyl)carbamoylamino]-N-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-(2-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(OC=N1)C2=NN=C(N2C)SCCCN3CCC4=C(CC3)C=C(C=C4)C5=C(C(=NN5C)C)Cl

DOS

IR

Vibrations