Geometry & MOs

Info

ID:	324924
PubChem CID:	126678669
Reduced:	S2N3O7C22H35 (1)
Stoich.:	A2B3C7D22E35 (1)
Weight, g/mol:	230.105528
ΔH_f, kcal/mol:	-333.5
Dipole, Da:	3.89
IP(EA), eV:	-9.13(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-methyl-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl)ethanol

Drug info:

PubChemData

Smile

CC[C@@H](C)C1C(CC(=O)O[C@@H](CC(=O)NCC(=O)NCC(=O)N1)/C=C/CCSSC)OC(=O)C

DOS

IR

Vibrations