Geometry & MOs

Info

ID:	222825
PubChem CID:	85332652
Reduced:	N3O5C31H53 (1)
Stoich.:	A3B5C31D53 (1)
Weight, g/mol:	547.215031
ΔH_f, kcal/mol:	-293.77
Dipole, Da:	7.15
IP(EA), eV:	-9.29(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-[N-[(3-chloro-4-fluorophenyl)carbamoyl]-4-(3-cyanophenyl)anilino]butyl]pyrrolidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)C1=CC(=C(C=C1)C)C(=O)NC(CC(C)C)C(C(C(C(C)C)C(=O)NCC(C)C)O)O

DOS

IR

Vibrations