Geometry & MOs

Info

ID:	179235
PubChem CID:	76454184
Reduced:	NSO5C21H33 (1)
Stoich.:	ABC5D21E33 (1)
Weight, g/mol:	507.240307
ΔH_f, kcal/mol:	-218.97
Dipole, Da:	5.04
IP(EA), eV:	-9.02(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,9-diamino-3-hydroxy-3-(4-methoxyphenyl)sulfonyl-6,6-dimethyl-1-phenylnonan-2-yl] carbamate

Drug info:

PubChemData

Smile

CCCCC(CC)C(=O)OC1C(=C(N2C(S1)C(C2=O)OC)C(=O)C(C)(C)C)C

DOS

IR

Vibrations