Geometry & MOs

Info

ID:	188114
PubChem CID:	77668191
Reduced:	ClFSN3O4C25H29 (1)
Stoich.:	ABCD3E4F25G29 (1)
Weight, g/mol:	644.291117
ΔH_f, kcal/mol:	-185.62
Dipole, Da:	5.37
IP(EA), eV:	-9.45(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(N-carbamoyl-3-cyanoanilino)-1-[4-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-phenylbutan-2-yl] N-(3-cyanophenyl)carbamate

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)S(=O)(=O)C2CC3C(C(C2)F)NCC(C3=O)C(=O)NCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations