Geometry & MOs

Info

ID:	188204
PubChem CID:	77681245
Reduced:	ClFSO2N3C33H41 (1)
Stoich.:	ABCD2E3F33G41 (1)
Weight, g/mol:	424.13359
ΔH_f, kcal/mol:	-107.26
Dipole, Da:	1.21
IP(EA), eV:	-8.73(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-(4-chlorophenyl)sulfanylazetidin-1-yl]-4-hydroxybutyl]-3-(3-ethyl-1,2-oxazol-5-yl)urea

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O)N(C)C1CC(C(C1)C2=CC(=CC=C2)F)CN3CCC(CC3)C4=CN=C(S4)CC5=CC=CC=C5Cl

DOS

IR

Vibrations