Geometry & MOs

Info

ID:	65038
PubChem CID:	29204370
Reduced:	NO3C10H13 (2)
Stoich.:	AB3C10D13 (2)
Weight, g/mol:	494.154529
ΔH_f, kcal/mol:	-192.52
Dipole, Da:	7.5
IP(EA), eV:	-9.19(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 4-[[(2R)-2-[(2-methoxyphenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]benzoate

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C[C@H]2[C@H]([C@H](CC2=O)C)C[N+](=O)[O-]

DOS

IR

Vibrations