Geometry & MOs

Info

ID:	194878
PubChem CID:	78600940
Reduced:	O3N4C24H26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	391.120192
ΔH_f, kcal/mol:	-40.06
Dipole, Da:	2.32
IP(EA), eV:	-9.18(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-(1,3-thiazol-2-ylmethyl)carbamoyl]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)CN(C2CCCC3=CC=CC=C23)C(=O)C4=C(C=CN=C4)C(=O)OC)C

DOS

IR

Vibrations