Geometry & MOs

Info

ID:	162321
PubChem CID:	57394290
Reduced:	O2N5H23C24 (1)
Stoich.:	A2B5C23D24 (1)
Weight, g/mol:	494.138865
ΔH_f, kcal/mol:	30.06
Dipole, Da:	4.44
IP(EA), eV:	-8.5(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[(2S)-2-(5,6-dichloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-phenylpyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC2=NC=C3C=C(C=CC3=N2)OC4=CC(=NC=C4)C(=O)NC

DOS

IR

Vibrations