Geometry & MOs

Info

ID:	187603
PubChem CID:	77595691
Reduced:	F3N5H14C16 (1)
Stoich.:	A3B5C14D16 (1)
Weight, g/mol:	591.25154
ΔH_f, kcal/mol:	-24.79
Dipole, Da:	3.39
IP(EA), eV:	-9.88(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[(4-propylphenyl)methylcarbamoyl]-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylsulfonyl)piperazin-1-yl]pyrazine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=NC=NC=C1F)C(CN2C=NC=N2)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations