Geometry & MOs

Info

ID:	380610
PubChem CID:	134971100
Reduced:	NOSeC6H13 (1)
Stoich.:	ABCD6E13 (1)
Weight, g/mol:	729.289759
ΔH_f, kcal/mol:	-41.52
Dipole, Da:	3.27
IP(EA), eV:	-8.32(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2R)-2-[(Z,2R,3S)-3-acetyloxy-5-[[(2S)-2-(3-methoxy-5-methylnaphthalene-1-carbonyl)oxy-2-[(2S)-2-methyloxiran-2-yl]acetyl]amino]-6-oxo-6-(2-oxopropylamino)hex-4-en-2-yl]aziridine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C(C[Se]C)NC

DOS

IR

Vibrations