Geometry & MOs

Info

ID:	84122
PubChem CID:	49864322
Reduced:	N4O7C20H30 (1)
Stoich.:	A4B7C20D30 (1)
Weight, g/mol:	369.135842
ΔH_f, kcal/mol:	-310.47
Dipole, Da:	6.75
IP(EA), eV:	-9.18(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations