Geometry & MOs

Info

ID:	155131
PubChem CID:	56320732
Reduced:	SN3O5C22H27 (1)
Stoich.:	AB3C5D22E27 (1)
Weight, g/mol:	427.210721
ΔH_f, kcal/mol:	-174.15
Dipole, Da:	2.66
IP(EA), eV:	-9.39(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-[3-[[2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]propyl]benzamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)NCCCNC(=O)C2=CC(=CC=C2)O)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations