Geometry & MOs

Info

ID:	362683
PubChem CID:	127309072
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	389.157326
ΔH_f, kcal/mol:	-102.62
Dipole, Da:	4.47
IP(EA), eV:	-9.14(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-1-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)urea

Drug info:

PubChemData

Smile

CC1(CC1NC(=O)N2CCCC(C2)C(=O)N3CCCC3)C

DOS

IR

Vibrations