Geometry & MOs

Info

ID:	368149
PubChem CID:	127327700
Reduced:	O2S2N3C17H29 (1)
Stoich.:	A2B2C3D17E29 (1)
Weight, g/mol:	386.181019
ΔH_f, kcal/mol:	-79.46
Dipole, Da:	6.35
IP(EA), eV:	-8.87(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-sulfonamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCCN(CC2)S(=O)(=O)CC3CCCCC3

DOS

IR

Vibrations