Geometry & MOs

Info

ID:	238002
PubChem CID:	92728772
Reduced:	S2O4N5C18H19 (1)
Stoich.:	A2B4C5D18E19 (1)
Weight, g/mol:	447.103497
ΔH_f, kcal/mol:	-30.21
Dipole, Da:	6.58
IP(EA), eV:	-9.06(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)C3CC3)S(=O)(=O)N[C@@H](C)C(=O)NC4=NC=CS4

DOS

IR

Vibrations