Geometry & MOs

Info

ID:	185679
PubChem CID:	77330106
Reduced:	S2N5O10C24H37 (1)
Stoich.:	A2B5C10D24E37 (1)
Weight, g/mol:	471.190654
ΔH_f, kcal/mol:	-384.35
Dipole, Da:	9.21
IP(EA), eV:	-8.12(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-[4-(3-phenylpropoxy)benzoyl]-2-(tetrazolidin-5-yl)chromen-4-one

Drug info:

PubChemData

Smile

CC1(C(N2C(S1)C(C2=O)N)C(=O)O)C.CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C.O.O.O

DOS

IR

Vibrations