Geometry & MOs

Info

ID:	326551
PubChem CID:	126687763
Reduced:	N7O11C48H73 (1)
Stoich.:	A7B11C48D73 (1)
Weight, g/mol:	229.142641
ΔH_f, kcal/mol:	-445.95
Dipole, Da:	19.5
IP(EA), eV:	-7.21(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl 2-[(2,2-diaminoacetyl)amino]acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@H](C)C(=O)NCC(=O)N(C)[C@H]1C2=CC(=C(C=C2)O)C3=C(C=CC(=C3)[C@H](NC(=O)[C@@H](NC1=O)C)C(=O)NCCOC)O

DOS

IR

Vibrations