Geometry & MOs

Info

ID:	367991
PubChem CID:	127326373
Reduced:	ON3C10H11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	377.134403
ΔH_f, kcal/mol:	-2.86
Dipole, Da:	10.0
IP(EA), eV:	-9.2(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea

Drug info:

PubChemData

Smile

CC1=NC(=O)C=C(N1)C2=CC=C(C=C2)NC(=O)N3CCCCC3C4=CNN=C4

DOS

IR

Vibrations