Geometry & MOs

Info

ID:	350221
PubChem CID:	127277299
Reduced:	OSN2C8H13 (2)
Stoich.:	ABC2D8E13 (2)
Weight, g/mol:	367.204196
ΔH_f, kcal/mol:	-65.02
Dipole, Da:	3.96
IP(EA), eV:	-8.56(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C(C)NC(=O)NCC2(CCSC2)N3CCOCC3

DOS

IR

Vibrations