Geometry & MOs

Info

ID:	149761
PubChem CID:	53789437
Reduced:	NPC6O7H14 (1)
Stoich.:	ABC6D7E14 (1)
Weight, g/mol:	491.22024
ΔH_f, kcal/mol:	-239.12
Dipole, Da:	5.34
IP(EA), eV:	-10.07(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R,6R)-6-[[2-(3-aminophenyl)-2-[[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

COOP(=O)(CCC(=O)NCO)OOC

DOS

IR

Vibrations