Geometry & MOs

Info

ID:	421734
PubChem CID:	135116515
Reduced:	N7O8C30H43 (1)
Stoich.:	A7B8C30D43 (1)
Weight, g/mol:	350.151158
ΔH_f, kcal/mol:	-341.52
Dipole, Da:	6.43
IP(EA), eV:	-9.31(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-4-oxobutane-1-sulfonamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)CN2CCOC2=O)C)CC3=CC=CC=C3

DOS

IR

Vibrations