Geometry & MOs

Info

ID:	149916
PubChem CID:	53789598
Reduced:	N2O2C9H14 (1)
Stoich.:	A2B2C9D14 (1)
Weight, g/mol:	562.286346
ΔH_f, kcal/mol:	-78.68
Dipole, Da:	2.51
IP(EA), eV:	-8.32(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CCOCOC1=CC(=CC(=C1)N)N

DOS

IR

Vibrations