Geometry & MOs

Info

ID:	187794
PubChem CID:	77624949
Reduced:	O2N5C14H16 (1)
Stoich.:	A2B5C14D16 (1)
Weight, g/mol:	540.240641
ΔH_f, kcal/mol:	5.21
Dipole, Da:	2.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.866768
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-4-methyl-2-[methyl(propanoyl)amino]pentanamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=NC(=CC2=[N+](C1=O)CC)C3=CN(N=C3)C

DOS

IR

Vibrations