Geometry & MOs

Info

ID:	164038
PubChem CID:	74381586
Reduced:	ON6C25H32 (1)
Stoich.:	AB6C25D32 (1)
Weight, g/mol:	567.15328
ΔH_f, kcal/mol:	22.83
Dipole, Da:	2.93
IP(EA), eV:	-7.88(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-3-oxospiro[3.5]non-1-en-1-yl)amino]-3-[4-[5-fluoro-2-(2-methylpropyl)benzimidazol-1-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C2=CC=C(C=C2)NC3=CC=C(N4C3=NC=C4)C5CCNC(=O)C5

DOS

IR

Vibrations