Geometry & MOs

Info

ID:	149873
PubChem CID:	53789553
Reduced:	ClSP2O7C17H29 (1)
Stoich.:	ABC2D7E17F29 (1)
Weight, g/mol:	546.243812
ΔH_f, kcal/mol:	-433.58
Dipole, Da:	8.83
IP(EA), eV:	-8.58(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-diazo-4-oxopentanoate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1CC)OCC)SOP(=O)(C(CC)(CC)P(=O)(O)O)O)Cl

DOS

IR

Vibrations