Geometry & MOs

Info

ID:	322709
PubChem CID:	126670863
Reduced:	ClFSO4N9H27C34 (1)
Stoich.:	ABCD4E9F27G34 (1)
Weight, g/mol:	337.07897
ΔH_f, kcal/mol:	11.37
Dipole, Da:	3.43
IP(EA), eV:	-9.38(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4S)-N-(6-bromo-3-cyclopropylpyridin-2-yl)-3,4-dimethylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2C=C(C=NC2=C1)C3=NC4=C(S3)C(=NN4CC(=O)N5[C@@H]6CC6C[C@H]5C(=O)NC7=CC=CC(=C7F)C8=C(C=CC(=C8)C(=O)C)Cl)C(=O)N

DOS

IR

Vibrations