Geometry & MOs

Info

ID:

234144

PubChem CID:

92297814

Reduced:

FO2N6C31H31 (1)

Stoich.:

AB2C6D31E31 (1)

Weight, g/mol:

544.198966

ΔHf, kcal/mol:

14.52

Dipole, Da:

6.11

IP(EA), eV:

 -9.24(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(R)-[(2-chlorophenyl)methyl-(furan-2-ylmethyl)amino]-[1-[[(2S)-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=CC=C5)CC6=CC=C(C=C6)F

DOS

IR

Vibrations