Geometry & MOs

Info

ID:	168268
PubChem CID:	74942713
Reduced:	Cl2F2O3N5H21C25 (1)
Stoich.:	A2B2C3D5E21F25 (1)
Weight, g/mol:	478.294391
ΔH_f, kcal/mol:	-108.03
Dipole, Da:	3.56
IP(EA), eV:	-8.42(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzhydryl-1-[4-methyl-2-[2-(methylamino)propanoylamino]pentanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=C(C(=CC(=C1Cl)F)F)Cl)OC2=C3C(=CN=C2N)C(=CO3)C4=CN=C(C=C4)C(=O)N5CCNCC5

DOS

IR

Vibrations