Geometry & MOs

Info

ID:	422774
PubChem CID:	135118387
Reduced:	NF2O3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	362.152495
ΔH_f, kcal/mol:	-199.13
Dipole, Da:	4.72
IP(EA), eV:	-9.51(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-amino-1,3-thiazole-4-carbonyl)-1,4-diazepan-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1C[C@@H]2CN(C[C@@H]2[C@](C1)(C3=CC=CC=C3)O)C(=O)C4=CC=C(C=C4)OC(F)F

DOS

IR

Vibrations