Geometry & MOs

Info

ID:	418564
PubChem CID:	135105781
Reduced:	NSO5C13H17 (1)
Stoich.:	ABC5D13E17 (1)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	-202.32
Dipole, Da:	11.57
IP(EA), eV:	-10.21(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-dimethylpyrazol-4-yl)-2-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)S(=O)(=O)N2CC[C@H]([C@H](C2)C(=O)O)O

DOS

IR

Vibrations