Geometry & MOs

Info

ID:	363130
PubChem CID:	127310163
Reduced:	SN4O4C18H30 (1)
Stoich.:	AB4C4D18E30 (1)
Weight, g/mol:	361.157246
ΔH_f, kcal/mol:	-156.08
Dipole, Da:	2.6
IP(EA), eV:	-9.21(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)NS(=O)(=O)CC(=O)N2CCOC(C2)CN3C=C(C=N3)C

DOS

IR

Vibrations