Geometry & MOs

Info

ID:	435001
PubChem CID:	135176909
Reduced:	S2O3N9H15C16 (1)
Stoich.:	A2B3C9D15E16 (1)
Weight, g/mol:	563.152178
ΔH_f, kcal/mol:	125.73
Dipole, Da:	5.63
IP(EA), eV:	-9.09(-2.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-3H-benzimidazol-5-yl)-6-(azetidin-3-ylsulfanyl)-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1C(CN1)SC2=C(C(=C(C=C2)C3=CN=CC4=NC(=O)N=C34)C5=NNNN5)S(=O)(=O)N

DOS

IR

Vibrations