Geometry & MOs

Info

ID:	228295
PubChem CID:	87563841
Reduced:	N5O16C57H105 (1)
Stoich.:	A5B16C57D105 (1)
Weight, g/mol:	269.047027
ΔH_f, kcal/mol:	-892.89
Dipole, Da:	8.62
IP(EA), eV:	-9.86(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetamide;3-sulfonyl-1,4-dihydroquinoxalin-2-one

Drug info:

Smile

CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)[C@@H]([C@](C)(C(=O)N[C@H](CCC(=O)N(CC(C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C)[C@@H](C)C(=O)O)C(=O)N)N)OC(=O)CCCCCCCCCCCCCCC

DOS

IR

Vibrations