Geometry & MOs

Info

ID:	223773
PubChem CID:	85335552
Reduced:	SCl2N3O6C23H29 (1)
Stoich.:	AB2C3D6E23F29 (1)
Weight, g/mol:	546.320606
ΔH_f, kcal/mol:	-238.7
Dipole, Da:	1.55
IP(EA), eV:	-9.32(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-N-[3-hydroxy-5-[5-(2-methylpropanoyl)-1H-imidazol-2-yl]-1,6-diphenylhexan-2-yl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CC(=C1)CCC(=O)NCC2CN(CCO2)CC3=CC(=C(C=C3)Cl)Cl.C(=O)O

DOS

IR

Vibrations