Geometry & MOs

Info

ID:	330554
PubChem CID:	127247961
Reduced:	S2N3O3C14H23 (1)
Stoich.:	A2B3C3D14E23 (1)
Weight, g/mol:	346.113333
ΔH_f, kcal/mol:	-104.6
Dipole, Da:	6.74
IP(EA), eV:	-9.23(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-methylsulfonyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CN2CCN(CC(C2)C(=O)NC)S(=O)(=O)C

DOS

IR

Vibrations