Geometry & MOs

Info

ID:

234117

PubChem CID:

92297764

Reduced:

SO2N6C30H32 (1)

Stoich.:

AB2C6D30E32 (1)

Weight, g/mol:

544.198966

ΔHf, kcal/mol:

59.44

Dipole, Da:

8.98

IP(EA), eV:

 -8.36(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(S)-[(4-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(CCC5=CC=CC=C5)CC6=CC=CS6

DOS

IR

Vibrations