Geometry & MOs

Info

ID:	193370
PubChem CID:	78383644
Reduced:	SN4O5C22H25 (1)
Stoich.:	AB4C5D22E25 (1)
Weight, g/mol:	463.225326
ΔH_f, kcal/mol:	-143.42
Dipole, Da:	5.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.043837
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(dimethylamino)ethenyl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-1,2-oxazole-4-sulfonamide

Drug info:

PubChemData

Smile

CN1C(=O)C2C=C(C=CC2=[N+](C1=O)C)S(=O)(=O)N(C)CC(=O)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations