Geometry & MOs

Info

ID:	170463
PubChem CID:	75236526
Reduced:	S2N5O5C27H43 (1)
Stoich.:	A2B5C5D27E43 (1)
Weight, g/mol:	617.255957
ΔH_f, kcal/mol:	-239.43
Dipole, Da:	2.54
IP(EA), eV:	-8.87(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(4-acetamidophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-naphthalen-2-yloxyacetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)NC(C1CCCCC1)C(=O)N2CC3(CC2C(=O)NC(CC4CC4)C(=O)C(=O)N)SCCS3

DOS

IR

Vibrations