Geometry & MOs

Info

ID:	150629
PubChem CID:	53790322
Reduced:	ClN2O4C24H29 (1)
Stoich.:	AB2C4D24E29 (1)
Weight, g/mol:	499.18894
ΔH_f, kcal/mol:	-157.61
Dipole, Da:	3.62
IP(EA), eV:	-8.75(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3,4-dimethylphenyl)-1-[2-methoxy-5-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]ethyl methanesulfonate

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2N(C1)C(=O)[C@@H](CC3=C(C=C(C=C3)OC(=O)OCC(C)C)Cl)N

DOS

IR

Vibrations