Geometry & MOs

Info

ID:	49236
PubChem CID:	11532192
Reduced:	O5C26H44 (1)
Stoich.:	A5B26C44 (1)
Weight, g/mol:	438.183795
ΔH_f, kcal/mol:	-298.91
Dipole, Da:	3.19
IP(EA), eV:	-10.08(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-[4-[4-(dimethylcarbamoyl)phenyl]-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](CCC(=O)OCCO)[C@H]1CCC2[C@@]1(CCC3C2[C@H](CC4[C@@]3(CC[C@@H](C4)O)C)O)C

DOS

IR

Vibrations