Geometry & MOs

Info

ID:	84117
PubChem CID:	49864300
Reduced:	N5O5C17H25 (1)
Stoich.:	A5B5C17D25 (1)
Weight, g/mol:	468.233247
ΔH_f, kcal/mol:	-203.81
Dipole, Da:	8.33
IP(EA), eV:	-9.31(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O

DOS

IR

Vibrations