Geometry & MOs

Info

ID:	346727
PubChem CID:	127271231
Reduced:	ClO2N4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	386.177647
ΔH_f, kcal/mol:	-17.56
Dipole, Da:	6.25
IP(EA), eV:	-9.47(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)N2CCCC(C2)C3=NC(=NO3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations