Geometry & MOs

Info

ID:	368146
PubChem CID:	127327697
Reduced:	O2N3S3C16H23 (1)
Stoich.:	A2B3C3D16E23 (1)
Weight, g/mol:	386.181019
ΔH_f, kcal/mol:	-42.11
Dipole, Da:	5.6
IP(EA), eV:	-8.84(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)S(=O)(=O)N2CCCN(CC2)CC3=CSC(=N3)C

DOS

IR

Vibrations