Geometry & MOs

Info

ID:	419490
PubChem CID:	135108273
Reduced:	O5N7C37H51 (1)
Stoich.:	A5B7C37D51 (1)
Weight, g/mol:	359.148121
ΔH_f, kcal/mol:	-171.13
Dipole, Da:	5.15
IP(EA), eV:	-8.98(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetyl-1,4-diazepan-1-yl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)CC4=CN(N=C4C)CCO

DOS

IR

Vibrations