Geometry & MOs

Info

ID:	244431
PubChem CID:	99350817
Reduced:	FN2O3C25H25 (1)
Stoich.:	AB2C3D25E25 (1)
Weight, g/mol:	450.208947
ΔH_f, kcal/mol:	-73.94
Dipole, Da:	3.99
IP(EA), eV:	-7.87(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC[C@@H](C2)CNC(=O)/C=C/C3=CC=C(O3)C4=CC=CC=C4F

DOS

IR

Vibrations