Geometry & MOs

Info

ID:	320172
PubChem CID:	126658548
Reduced:	PN4O8C20H33 (1)
Stoich.:	AB4C8D20E33 (1)
Weight, g/mol:	421.257671
ΔH_f, kcal/mol:	-398.07
Dipole, Da:	13.72
IP(EA), eV:	-8.74(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[[(2S)-4,4-dimethyl-3-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide

Drug info:

PubChemData

Smile

CCC(C)(CC1C([C@H]([C@@H](O1)N2C=CC3=C2NC(=NC3=O)N)O)O)OP(=O)(C(CC)(CC)O)O

DOS

IR

Vibrations