Geometry & MOs

Info

ID:	83259
PubChem CID:	49857363
Reduced:	N6O14C85H164 (1)
Stoich.:	A6B14C85D164 (1)
Weight, g/mol:	235.105587
ΔH_f, kcal/mol:	-880.19
Dipole, Da:	5.44
IP(EA), eV:	-9.37(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;diethyl 2-aminopropanedioate

Drug info:

Smile

CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COC(=O)C(CCCN=C(N)N)N)[C@@H](/C=C/C(CCCCCCCCCCCC)O)O)O

DOS

IR

Vibrations