Geometry & MOs

Info

ID:	360194
PubChem CID:	127300837
Reduced:	SO2N5C19H29 (1)
Stoich.:	AB2C5D19E29 (1)
Weight, g/mol:	381.140551
ΔH_f, kcal/mol:	-23.49
Dipole, Da:	6.34
IP(EA), eV:	-9.08(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methyltetrazol-5-yl)sulfanyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)CCC3=NC(=NO3)C(C)(C)C

DOS

IR

Vibrations