Geometry & MOs

Info

ID:	415163
PubChem CID:	135088154
Reduced:	SN4O4C15H24 (1)
Stoich.:	AB4C4D15E24 (1)
Weight, g/mol:	349.1054
ΔH_f, kcal/mol:	-165.67
Dipole, Da:	7.46
IP(EA), eV:	-9.4(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-chloropyridine-2-carbonyl)-1,4-diazepan-1-yl]-2-(tetrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=O)N1CCNC(=O)CN(C)C2CCS(=O)(=O)C2)C

DOS

IR

Vibrations