Geometry & MOs

Info

ID:	162749
PubChem CID:	57566095
Reduced:	ClF2N2O2H19C25 (1)
Stoich.:	AB2C2D2E19F25 (1)
Weight, g/mol:	434.181487
ΔH_f, kcal/mol:	-116.55
Dipole, Da:	4.69
IP(EA), eV:	-9.62(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[6-[4-(2-acetamidoethyl)imidazol-1-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)[C@@H]2[C@@]3([C@@H](CC(=O)N2)C4=CC(=CC=C4)Cl)C5=C(C=C(C=C5)F)NC3=O

DOS

IR

Vibrations