Geometry & MOs

Info

ID:	299656
PubChem CID:	117688309
Reduced:	O4C19H36 (1)
Stoich.:	A4B19C36 (1)
Weight, g/mol:	584.195663
ΔH_f, kcal/mol:	-193.2
Dipole, Da:	1.77
IP(EA), eV:	-10.36(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbonic acid;N-[[4-[(4-cyclopropylphenoxy)methyl]phenyl]methyl]-N-propyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CC1(CC(CC(C1)(C)C(CCCCC(C)(C)C)C(=O)OO)O)C

DOS

IR

Vibrations