Geometry & MOs

Info

ID:	218766
PubChem CID:	85089942
Reduced:	S2N5O8C18H29 (1)
Stoich.:	A2B5C8D18E29 (1)
Weight, g/mol:	511.269573
ΔH_f, kcal/mol:	-364.6
Dipole, Da:	5.64
IP(EA), eV:	-8.92(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-butyl-1-[[4-[4-(tetrazolidin-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-6-methylpyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C(CS)N)C(=O)NC(CS)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)O

DOS

IR

Vibrations