Geometry & MOs

Info

ID:	330555
PubChem CID:	127247962
Reduced:	S2O3N4C13H22 (1)
Stoich.:	A2B3C4D13E22 (1)
Weight, g/mol:	346.113333
ΔH_f, kcal/mol:	-94.82
Dipole, Da:	6.53
IP(EA), eV:	-9.12(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-methylsulfonyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCN(CC(C2)C(=O)NC)S(=O)(=O)C

DOS

IR

Vibrations