Geometry & MOs

Info

ID:	155341
PubChem CID:	56352930
Reduced:	Cl2O2N5C23H27 (1)
Stoich.:	A2B2C5D23E27 (1)
Weight, g/mol:	463.090345
ΔH_f, kcal/mol:	-48.55
Dipole, Da:	8.38
IP(EA), eV:	-8.38(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)NC2=CC(=CC=C2)Cl)C(=O)C3CCN(CC3)C4=NC=C(C=C4)Cl

DOS

IR

Vibrations