Geometry & MOs

Info

ID:	529
PubChem CID:	2932
Reduced:	O4N5C15H23 (1)
Stoich.:	A4B5C15D23 (1)
Weight, g/mol:	337.175004
ΔH_f, kcal/mol:	-149.9
Dipole, Da:	5.39
IP(EA), eV:	-8.91(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(C(=O)NC(CCCN=C(N)N)C(=O)O)N)O

DOS

IR

Vibrations