Geometry & MOs

Info

ID:	160300
PubChem CID:	57309647
Reduced:	NSC12H25 (1)
Stoich.:	ABC12D25 (1)
Weight, g/mol:	602.313806
ΔH_f, kcal/mol:	-35.04
Dipole, Da:	1.76
IP(EA), eV:	-8.46(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-3-[3,3-dimethylbutanoyl-[[2-(methylamino)acetyl]amino]amino]-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

Drug info:

PubChemData

Smile

CCN(CCCCS)C1CCCCC1

DOS

IR

Vibrations