Geometry & MOs

Info

ID:	31888
PubChem CID:	3722777
Reduced:	ON4C5H6 (3)
Stoich.:	AB4C5D6 (3)
Weight, g/mol:	424.10614
ΔH_f, kcal/mol:	196.89
Dipole, Da:	10.12
IP(EA), eV:	-8.4(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbothioyl]amino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C=NNC(=O)CN(C2=NON=C2N)N=NC3=NON=C3N

DOS

IR

Vibrations