Geometry & MOs

Info

ID:	362463
PubChem CID:	127307909
Reduced:	S2N3O3C17H23 (1)
Stoich.:	A2B3C3D17E23 (1)
Weight, g/mol:	393.183461
ΔH_f, kcal/mol:	-106.8
Dipole, Da:	2.35
IP(EA), eV:	-8.76(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-oxo-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]ethyl]-2-pyrazol-1-ylpropanamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CCNC(=O)C2=CC=CS2)C(=O)N3CCSCC3

DOS

IR

Vibrations