Geometry & MOs

Info

ID:	139886
PubChem CID:	52611863
Reduced:	S2N3O3C21H35 (1)
Stoich.:	A2B3C3D21E35 (1)
Weight, g/mol:	363.218487
ΔH_f, kcal/mol:	-133.18
Dipole, Da:	4.66
IP(EA), eV:	-8.66(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl-[4-[[4-(imidazol-1-ylmethyl)benzoyl]amino]phenyl]-propan-2-ylazanium

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)CCCCNC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCC3)C

DOS

IR

Vibrations