Geometry & MOs

Info

ID:	44976
PubChem CID:	10506967
Reduced:	BrO2N4H27C30 (1)
Stoich.:	AB2C4D27E30 (1)
Weight, g/mol:	555.155412
ΔH_f, kcal/mol:	22.77
Dipole, Da:	2.01
IP(EA), eV:	-8.93(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]acetyl]amino]-3-phenylpropanoyl]-1,3-benzoxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)NCC2N(C(=O)C3=CC=CC=C3N2C4=CC=CC=C4)CCC5=CC(=CC=C5)Br

DOS

IR

Vibrations