Geometry & MOs

Info

ID:	375951
PubChem CID:	134221948
Reduced:	ClNO2F4H12C18 (1)
Stoich.:	ABC2D4E12F18 (1)
Weight, g/mol:	504.138276
ΔH_f, kcal/mol:	-172.73
Dipole, Da:	6.05
IP(EA), eV:	-9.4(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[5-[(E)-3-(3,5-dichloro-4-fluorophenyl)pent-1-enyl]indol-1-yl]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Cl)C(/C=C/C2=CC(=C(C=C2)C(=O)N=O)F)C(F)(F)F

DOS

IR

Vibrations