Geometry & MOs

Info

ID:	244434
PubChem CID:	99350822
Reduced:	N2O2C23H28 (1)
Stoich.:	A2B2C23D28 (1)
Weight, g/mol:	450.208947
ΔH_f, kcal/mol:	-53.22
Dipole, Da:	4.01
IP(EA), eV:	-7.94(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC[C@H](C2)CNC(=O)CC3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations