Geometry & MOs

Info

ID:

191345

PubChem CID:

78134515

Reduced:

PSN6O8C37H45 (1)

Stoich.:

ABC6D8E37F45 (1)

Weight, g/mol:

571.265551

ΔHf, kcal/mol:

-225.76

Dipole, Da:

10.82

IP(EA), eV:

 -8.3(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethoxyethyl N-[4-[2-[2-[5-methyl-2-(tetrazol-1-yl)phenyl]-4-oxo-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-yl]-1H-imidazol-5-yl]phenyl]carbamate

Drug info:

PubChemData

Smile

C[N+](C)(C)CCOP(=O)(OCC=C)OCC(C(=O)OCC=C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13.C1=CC=C(C=C1)CSC2=NN=N[N-]2

DOS

IR

Vibrations