Geometry & MOs

Info

ID:	447663
PubChem CID:	135284541
Reduced:	N3F4O4C27H35 (1)
Stoich.:	A3B4C4D27E35 (1)
Weight, g/mol:	397.193632
ΔH_f, kcal/mol:	-371.79
Dipole, Da:	6.86
IP(EA), eV:	-9.62(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-methylphenyl]pyrimidin-2-yl]-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CC(CCOC1=CN=C(C=C1C(F)F)C2=CC(=NC=C2)C(F)F)CC3COC(N3C(=O)OC(C)(C)C)(C)C

DOS

IR

Vibrations