Geometry & MOs

Info

ID:	421409
PubChem CID:	135115933
Reduced:	SN4O6C14H22 (1)
Stoich.:	AB4C6D14E22 (1)
Weight, g/mol:	363.20591
ΔH_f, kcal/mol:	-251.24
Dipole, Da:	6.62
IP(EA), eV:	-9.94(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-[4-[ethyl(methyl)amino]pyrimidin-2-yl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)CC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations