Geometry & MOs

Info

ID:

234121

PubChem CID:

92297771

Reduced:

ClO3N6C29H29 (1)

Stoich.:

AB3C6D29E29 (1)

Weight, g/mol:

544.198966

ΔHf, kcal/mol:

20.65

Dipole, Da:

10.5

IP(EA), eV:

 -9.26(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(S)-[(2-chlorophenyl)methyl-(furan-2-ylmethyl)amino]-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(C(=O)N2)[C@@H](C3=NN=NN3C[C@H]4CCCO4)N(CC5=CC=C(C=C5)Cl)CC6=CC=CO6

DOS

IR

Vibrations