Geometry & MOs

Info

ID:	222593
PubChem CID:	85305582
Reduced:	PN2O9C13H17 (1)
Stoich.:	AB2C9D13E17 (1)
Weight, g/mol:	376.099397
ΔH_f, kcal/mol:	-407.94
Dipole, Da:	6.38
IP(EA), eV:	-9.09(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxyphenyl)-N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC=C(C(=CNC(CCC(=O)O)C(=O)O)C1=O)COP(=O)(O)O

DOS

IR

Vibrations